(3S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide

C18H28N4O2 — CID 97139220

IUPAC(3S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCn1cc(CNC(=O)[C@H]2CCC(=O)N(C3CCCCCC3)C2)cn1
InChIInChI=1S/C18H28N4O2/c1-21-12-14(11-20-21)10-19-18(24)15-8-9-17(23)22(13-15)16-6-4-2-3-5-7-16/h11-12,15-16H,2-10,13H2,1H3,(H,19,24)/t15-/m0/s1
InChIKeyOIRSJBHVYJDLNT-HNNXBMFYSA-N
MW332.45 g/mol
LogP2.00
Rot. Bonds4

About (3S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide

(3S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 97139220) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (3S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID97139220
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name(3S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCn1cc(CNC(=O)[C@H]2CCC(=O)N(C3CCCCCC3)C2)cn1
InChIInChI=1S/C18H28N4O2/c1-21-12-14(11-20-21)10-19-18(24)15-8-9-17(23)22(13-15)16-6-4-2-3-5-7-16/h11-12,15-16H,2-10,13H2,1H3,(H,19,24)/t15-/m0/s1
InChIKeyOIRSJBHVYJDLNT-HNNXBMFYSA-N
XLogP2.00
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclohexylmethyl)-N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24790909
1-cycloheptyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24818933
N-[(1-methyl-1H-pyrazol-4-yl)methyl]cyclohexanecarboxamide
CID 1246452
1-(cyclohexylmethyl)-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide
CID 24794076
1-(cyclohexylmethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24817829
1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817519
N-cyclopropyl-3-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}propanamide
CID 26336154
1-(cyclohexylmethyl)-6-oxo-N-[3-(1H-pyrazol-1-yl)propyl]-3-piperidinecarboxamide
CID 45221731
(4aS*,8aR*)-6-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-(piperidin-4-ylmethyl)octahydro-1,6-naphthyridin-2(1H)-one
CID 56908199
1-cyclopentyl-N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 72914681
1-isopropyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72915942
1-isopropyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72919300

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 97139220) is (3S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide is Cn1cc(CNC(=O)[C@H]2CCC(=O)N(C3CCCCCC3)C2)cn1.
What is the InChIKey of (3S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is OIRSJBHVYJDLNT-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-21-12-14(11-20-21)10-19-18(24)15-8-9-17(23)22(13-15)16-6-4-2-3-5-7-16/h11-12,15-16H,2-10,13H2,1H3,(H,19,24)/t15-/m0/s1.
What are the key properties of (3S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
(3S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 97139220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).