[1-[2-[[7-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

C35H51N5O4 — CID 67005501

IUPAC[1-[2-[[7-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESCCNC(=O)C1CCN(CCCCCC(=O)CNCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)CC1
InChIInChI=1S/C35H51N5O4/c1-2-37-34(42)29-16-22-39(23-17-29)21-10-4-7-13-30(41)27-36-20-26-40-24-18-31(19-25-40)44-35(43)38-33-15-9-8-14-32(33)28-11-5-3-6-12-28/h3,5-6,8-9,11-12,14-15,29,31,36H,2,4,7,10,13,16-27H2,1H3,(H,37,42)(H,38,43)
InChIKeyNFKDMPAEWWLASD-UHFFFAOYSA-N
MW605.82 g/mol
LogP4.93
Rot. Bonds16

About [1-[2-[[7-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-[2-[[7-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 67005501) has the molecular formula C35H51N5O4 and a molecular weight of 605.82 g/mol. Its IUPAC name is [1-[2-[[7-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[1-[2-[[7-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
PubChem CID67005501
Molecular FormulaC35H51N5O4
Molecular Weight605.82 g/mol
Exact Mass605.39
IUPAC Name[1-[2-[[7-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESCCNC(=O)C1CCN(CCCCCC(=O)CNCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)CC1
InChIInChI=1S/C35H51N5O4/c1-2-37-34(42)29-16-22-39(23-17-29)21-10-4-7-13-30(41)27-36-20-26-40-24-18-31(19-25-40)44-35(43)38-33-15-9-8-14-32(33)28-11-5-3-6-12-28/h3,5-6,8-9,11-12,14-15,29,31,36H,2,4,7,10,13,16-27H2,1H3,(H,37,42)(H,38,43)
InChIKeyNFKDMPAEWWLASD-UHFFFAOYSA-N
XLogP4.93
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.82
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-[[7-[(3R)-3-(ethylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 69484339
[1-[2-[[7-[3-(dipropylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 67005352
(1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate;ethane;nonane
CID 158840532
[1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624951
[1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 53325336
[1-[3-oxo-3-[4-[[4-(propylcarbamoyl)piperidin-1-yl]methyl]anilino]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 11250610
methyl 3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propanoate
CID 57459436
[1-[7-[ethyl(methyl)amino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624927
[1-[8-(1,3-dioxoisoindol-2-yl)octyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 59838143
[1-[2-[[3-[4-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-3-oxopropyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 66986347
[1-[2-[[2-[4-[(2-hydroxyethylamino)methyl]phenyl]-2-oxoethyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 66756251
[1-[2-[[4-[(cyclopropanecarbonylamino)methyl]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of [1-[2-[[7-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The IUPAC name of [1-[2-[[7-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 67005501) is [1-[2-[[7-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.
What is the SMILES notation for [1-[2-[[7-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The canonical SMILES for [1-[2-[[7-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is CCNC(=O)C1CCN(CCCCCC(=O)CNCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)CC1.
What is the InChIKey of [1-[2-[[7-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The InChIKey is NFKDMPAEWWLASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H51N5O4/c1-2-37-34(42)29-16-22-39(23-17-29)21-10-4-7-13-30(41)27-36-20-26-40-24-18-31(19-25-40)44-35(43)38-33-15-9-8-14-32(33)28-11-5-3-6-12-28/h3,5-6,8-9,11-12,14-15,29,31,36H,2,4,7,10,13,16-27H2,1H3,(H,37,42)(H,38,43).
What are the key properties of [1-[2-[[7-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
[1-[2-[[7-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 605.82 g/mol, XLogP of 4.93, 16 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[[7-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 67005501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).