ethyl N-[1-[(1-phenylcyclopentyl)methylcarbamoyl]piperidin-3-yl]carbamate

C21H31N3O3 — CID 78886586

IUPACethyl N-[1-[(1-phenylcyclopentyl)methylcarbamoyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)NCC2(c3ccccc3)CCCC2)C1
InChIInChI=1S/C21H31N3O3/c1-2-27-20(26)23-18-11-8-14-24(15-18)19(25)22-16-21(12-6-7-13-21)17-9-4-3-5-10-17/h3-5,9-10,18H,2,6-8,11-16H2,1H3,(H,22,25)(H,23,26)
InChIKeyXMVYFHSCCZNDEU-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.42
Rot. Bonds5

About ethyl N-[1-[(1-phenylcyclopentyl)methylcarbamoyl]piperidin-3-yl]carbamate

ethyl N-[1-[(1-phenylcyclopentyl)methylcarbamoyl]piperidin-3-yl]carbamate (PubChem CID 78886586) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is ethyl N-[1-[(1-phenylcyclopentyl)methylcarbamoyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[(1-phenylcyclopentyl)methylcarbamoyl]piperidin-3-yl]carbamate
PubChem CID78886586
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Nameethyl N-[1-[(1-phenylcyclopentyl)methylcarbamoyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)NCC2(c3ccccc3)CCCC2)C1
InChIInChI=1S/C21H31N3O3/c1-2-27-20(26)23-18-11-8-14-24(15-18)19(25)22-16-21(12-6-7-13-21)17-9-4-3-5-10-17/h3-5,9-10,18H,2,6-8,11-16H2,1H3,(H,22,25)(H,23,26)
InChIKeyXMVYFHSCCZNDEU-UHFFFAOYSA-N
XLogP3.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]carbamate
CID 94825031
ethyl N-[(3R)-1-(2-naphthalen-1-ylethylcarbamoyl)piperidin-3-yl]carbamate
CID 94112463
3-(hydroxymethyl)-N-[(1-phenylcyclobutyl)methyl]piperidine-1-carboxamide
CID 110895517
N-[(1-phenylcyclopentyl)methyl]-1,4-thiazepane-4-carboxamide
CID 78886565
ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate
CID 54873265
1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide
CID 55910670
4-(1-hydroxyethyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-1-carboxamide
CID 111438064
ethyl N-[1-(benzylcarbamoyl)piperidin-4-yl]carbamate
CID 110821710
1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide
CID 24614563
2-[3-(methylamino)piperidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 119920063
(3R)-3-acetamido-N-[[1-(3,5-dimethylphenyl)cyclopentyl]methyl]pyrrolidine-1-carboxamide
CID 125443802
(4S)-4-hydroxy-4-(hydroxymethyl)-N-[(1-phenylcyclohexyl)methyl]azepane-1-carboxamide
CID 126446437

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[(1-phenylcyclopentyl)methylcarbamoyl]piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-[(1-phenylcyclopentyl)methylcarbamoyl]piperidin-3-yl]carbamate (CID 78886586) is ethyl N-[1-[(1-phenylcyclopentyl)methylcarbamoyl]piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[(1-phenylcyclopentyl)methylcarbamoyl]piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-[(1-phenylcyclopentyl)methylcarbamoyl]piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(C(=O)NCC2(c3ccccc3)CCCC2)C1.
What is the InChIKey of ethyl N-[1-[(1-phenylcyclopentyl)methylcarbamoyl]piperidin-3-yl]carbamate?
The InChIKey is XMVYFHSCCZNDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-2-27-20(26)23-18-11-8-14-24(15-18)19(25)22-16-21(12-6-7-13-21)17-9-4-3-5-10-17/h3-5,9-10,18H,2,6-8,11-16H2,1H3,(H,22,25)(H,23,26).
What are the key properties of ethyl N-[1-[(1-phenylcyclopentyl)methylcarbamoyl]piperidin-3-yl]carbamate?
ethyl N-[1-[(1-phenylcyclopentyl)methylcarbamoyl]piperidin-3-yl]carbamate has a molecular weight of 373.50 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[(1-phenylcyclopentyl)methylcarbamoyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 78886586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).