(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

C27H30N2O2 — CID 70790414

IUPAC(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
SMILESCC1C[C@H]1C(=O)NCC(=O)N1CCC(=C2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C27H30N2O2/c1-18-16-24(18)27(31)28-17-25(30)29-14-12-21(13-15-29)26-22-8-4-2-6-19(22)10-11-20-7-3-5-9-23(20)26/h2-9,18,24H,10-17H2,1H3,(H,28,31)/t18?,24-/m1/s1
InChIKeyZWPVJHVLYPJONF-VCUSLETLSA-N
MW414.55 g/mol
LogP3.98
Rot. Bonds3

About (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

(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 (PubChem CID 70790414) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID70790414
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name(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
SMILESCC1C[C@H]1C(=O)NCC(=O)N1CCC(=C2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C27H30N2O2/c1-18-16-24(18)27(31)28-17-25(30)29-14-12-21(13-15-29)26-22-8-4-2-6-19(22)10-11-20-7-3-5-9-23(20)26/h2-9,18,24H,10-17H2,1H3,(H,28,31)/t18?,24-/m1/s1
InChIKeyZWPVJHVLYPJONF-VCUSLETLSA-N
XLogP3.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1C[C@H]1C(=O)NCC(=O)N1CCC(=C2c3ccccc3CCc3ccccc32)CC1.
What is the InChIKey of (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?
The InChIKey is ZWPVJHVLYPJONF-VCUSLETLSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-18-16-24(18)27(31)28-17-25(30)29-14-12-21(13-15-29)26-22-8-4-2-6-19(22)10-11-20-7-3-5-9-23(20)26/h2-9,18,24H,10-17H2,1H3,(H,28,31)/t18?,24-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 414.55 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 70790414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).