(3S)-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methyl-6-oxopiperidine-3-carboxamide

C16H28N2O3 — CID 124740444

IUPAC(3S)-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methyl-6-oxopiperidine-3-carboxamide
SMILESCOCCC1(CNC(=O)[C@@]2(C)CCC(=O)NC2)CCCC1
InChIInChI=1S/C16H28N2O3/c1-15(8-5-13(19)17-11-15)14(20)18-12-16(9-10-21-2)6-3-4-7-16/h3-12H2,1-2H3,(H,17,19)(H,18,20)/t15-/m0/s1
InChIKeyUSGLLKNHNAXRNR-HNNXBMFYSA-N
MW296.41 g/mol
LogP1.62
Rot. Bonds6

About (3S)-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methyl-6-oxopiperidine-3-carboxamide

(3S)-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 124740444) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is (3S)-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methyl-6-oxopiperidine-3-carboxamide
PubChem CID124740444
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name(3S)-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methyl-6-oxopiperidine-3-carboxamide
SMILESCOCCC1(CNC(=O)[C@@]2(C)CCC(=O)NC2)CCCC1
InChIInChI=1S/C16H28N2O3/c1-15(8-5-13(19)17-11-15)14(20)18-12-16(9-10-21-2)6-3-4-7-16/h3-12H2,1-2H3,(H,17,19)(H,18,20)/t15-/m0/s1
InChIKeyUSGLLKNHNAXRNR-HNNXBMFYSA-N
XLogP1.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
CID 71918772
4-methoxy-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119812130
2-(2-methoxyethylamino)-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]acetamide
CID 119812143
3-[[1-(2-methoxyethyl)cyclohexyl]methylcarbamoylamino]propanoic acid
CID 122010715
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120936238
2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methylpropanamide
CID 119344523
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]acetamide
CID 119820379
2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119344536
1-cyclopentyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 103793592
1-cyclobutyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 103793976
2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
CID 62723578
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120937238

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methyl-6-oxopiperidine-3-carboxamide (CID 124740444) is (3S)-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methyl-6-oxopiperidine-3-carboxamide is COCCC1(CNC(=O)[C@@]2(C)CCC(=O)NC2)CCCC1.
What is the InChIKey of (3S)-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is USGLLKNHNAXRNR-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-15(8-5-13(19)17-11-15)14(20)18-12-16(9-10-21-2)6-3-4-7-16/h3-12H2,1-2H3,(H,17,19)(H,18,20)/t15-/m0/s1.
What are the key properties of (3S)-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methyl-6-oxopiperidine-3-carboxamide?
(3S)-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 124740444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).