N-[(2S)-2-hydroxy-1-[3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]cyclopropyl]cyclohexanecarboxamide

C33H38N2O3 — CID 142216520

IUPACN-[(2S)-2-hydroxy-1-[3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]cyclopropyl]cyclohexanecarboxamide
SMILESO=C(NC1(CCC(=O)N2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)C[C@@H]1O)C1CCCCC1
InChIInChI=1S/C33H38N2O3/c36-29-22-33(29,34-32(38)26-10-2-1-3-11-26)19-16-30(37)35-20-17-25(18-21-35)31-27-12-6-4-8-23(27)14-15-24-9-5-7-13-28(24)31/h4-9,12-15,26,29,36H,1-3,10-11,16-22H2,(H,34,38)/t29-,33?/m0/s1
InChIKeyVWWFXUKEYVRWLF-WXTKOERCSA-N
MW510.68 g/mol
LogP5.57
Rot. Bonds5

About N-[(2S)-2-hydroxy-1-[3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]cyclopropyl]cyclohexanecarboxamide

N-[(2S)-2-hydroxy-1-[3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]cyclopropyl]cyclohexanecarboxamide (PubChem CID 142216520) has the molecular formula C33H38N2O3 and a molecular weight of 510.68 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-1-[3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]cyclopropyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-1-[3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]cyclopropyl]cyclohexanecarboxamide
PubChem CID142216520
Molecular FormulaC33H38N2O3
Molecular Weight510.68 g/mol
Exact Mass510.29
IUPAC NameN-[(2S)-2-hydroxy-1-[3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]cyclopropyl]cyclohexanecarboxamide
SMILESO=C(NC1(CCC(=O)N2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)C[C@@H]1O)C1CCCCC1
InChIInChI=1S/C33H38N2O3/c36-29-22-33(29,34-32(38)26-10-2-1-3-11-26)19-16-30(37)35-20-17-25(18-21-35)31-27-12-6-4-8-23(27)14-15-24-9-5-7-13-28(24)31/h4-9,12-15,26,29,36H,1-3,10-11,16-22H2,(H,34,38)/t29-,33?/m0/s1
InChIKeyVWWFXUKEYVRWLF-WXTKOERCSA-N
XLogP5.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.68
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-[(2S)-2-hydroxy-1-[3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]cyclopropyl]cyclohexanecarboxamide with MolForge

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Related Compounds

2-cyclohexyl-4-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]butanoic acid
CID 22990659
ethyl 4-[5-(3-ethoxy-3-oxopropyl)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-ylidene]piperidine-1-carboxylate
CID 118643796
N-[(2S)-1-hydroxy-5-oxo-5-[4-[(3R)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraenylidene]piperidin-1-yl]pentan-2-yl]acetamide
CID 142216523
6-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]hexanoic acid;hydrochloride
CID 67914039
2-(3-oxo-3-piperidin-1-ylpropyl)-3,4-dihydro-2H-naphthalen-1-one
CID 22104550
1-phenyl-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propan-1-one;hydrochloride
CID 22990895
tert-butyl 4-[5-(3-ethoxy-3-oxopropyl)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-ylidene]piperidine-1-carboxylate
CID 68752009
N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]cyclohexanecarboxamide
CID 86902954
N-[4-[(E)-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]prop-1-enyl]phenyl]acetamide
CID 19749649
1-[1-cyclohexyl-3-[3-cyclohexyl-2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]sulfanylpropan-2-yl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine;hydrochloride
CID 70024522
(1R)-2-methyl-N-[2-oxo-2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethyl]cyclopropane-1-carboxamide
CID 70790414
3-[4-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]butyl]cyclohexan-1-one
CID 57301912

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-1-[3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]cyclopropyl]cyclohexanecarboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-1-[3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]cyclopropyl]cyclohexanecarboxamide (CID 142216520) is N-[(2S)-2-hydroxy-1-[3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]cyclopropyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-1-[3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]cyclopropyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-1-[3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]cyclopropyl]cyclohexanecarboxamide is O=C(NC1(CCC(=O)N2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)C[C@@H]1O)C1CCCCC1.
What is the InChIKey of N-[(2S)-2-hydroxy-1-[3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]cyclopropyl]cyclohexanecarboxamide?
The InChIKey is VWWFXUKEYVRWLF-WXTKOERCSA-N. The full InChI is InChI=1S/C33H38N2O3/c36-29-22-33(29,34-32(38)26-10-2-1-3-11-26)19-16-30(37)35-20-17-25(18-21-35)31-27-12-6-4-8-23(27)14-15-24-9-5-7-13-28(24)31/h4-9,12-15,26,29,36H,1-3,10-11,16-22H2,(H,34,38)/t29-,33?/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-1-[3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]cyclopropyl]cyclohexanecarboxamide?
N-[(2S)-2-hydroxy-1-[3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]cyclopropyl]cyclohexanecarboxamide has a molecular weight of 510.68 g/mol, XLogP of 5.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-1-[3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]cyclopropyl]cyclohexanecarboxamide is sourced from PubChem (CID 142216520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).