(2S)-1-(cyclopropanecarbonyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide

C18H30N2O3 — CID 125436839

IUPAC(2S)-1-(cyclopropanecarbonyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide
SMILESCOCC1(CNC(=O)[C@@H]2CCCCN2C(=O)C2CC2)CCCC1
InChIInChI=1S/C18H30N2O3/c1-23-13-18(9-3-4-10-18)12-19-16(21)15-6-2-5-11-20(15)17(22)14-7-8-14/h14-15H,2-13H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyVVKMZBINAQDIKK-HNNXBMFYSA-N
MW322.45 g/mol
LogP2.10
Rot. Bonds6

About (2S)-1-(cyclopropanecarbonyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide

(2S)-1-(cyclopropanecarbonyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide (PubChem CID 125436839) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2S)-1-(cyclopropanecarbonyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(cyclopropanecarbonyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide
PubChem CID125436839
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name(2S)-1-(cyclopropanecarbonyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide
SMILESCOCC1(CNC(=O)[C@@H]2CCCCN2C(=O)C2CC2)CCCC1
InChIInChI=1S/C18H30N2O3/c1-23-13-18(9-3-4-10-18)12-19-16(21)15-6-2-5-11-20(15)17(22)14-7-8-14/h14-15H,2-13H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyVVKMZBINAQDIKK-HNNXBMFYSA-N
XLogP2.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-oxo-1-[5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]propan-2-yl]cyclopentanecarboxamide
CID 128665718
N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 46037052
(2R)-N-[(2S)-1-[butoxymethyl-[(3R)-2-methylpentan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide
CID 90382303
(1-Aminocyclopentyl)-[4-methyl-4-[[(2-methylcyclopropyl)amino]methyl]piperidin-1-yl]methanone
CID 123289271
N-[1-(cyclopropylmethoxymethylamino)-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide
CID 123469906
N-[1-[butoxymethyl(2-methylpentan-3-yl)amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide
CID 124007821
(1-Aminocyclopentyl)-[4-[(cyclopropylamino)methyl]-4-methylpiperidin-1-yl]methanone
CID 139515832
[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 139515863
N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxaspiro[2.5]octane-2-carboxamide
CID 145466519
(1-aminocyclopentyl)-[4-methyl-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
CID 147408354
N-[(2S)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-5-methoxypentanamide
CID 170036334
2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 24716269

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclopropanecarbonyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-(cyclopropanecarbonyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide (CID 125436839) is (2S)-1-(cyclopropanecarbonyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(cyclopropanecarbonyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-(cyclopropanecarbonyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide is COCC1(CNC(=O)[C@@H]2CCCCN2C(=O)C2CC2)CCCC1.
What is the InChIKey of (2S)-1-(cyclopropanecarbonyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide?
The InChIKey is VVKMZBINAQDIKK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-23-13-18(9-3-4-10-18)12-19-16(21)15-6-2-5-11-20(15)17(22)14-7-8-14/h14-15H,2-13H2,1H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (2S)-1-(cyclopropanecarbonyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide?
(2S)-1-(cyclopropanecarbonyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclopropanecarbonyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 125436839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).