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

C19H30N4O2 — CID 24818933

IUPAC1-cycloheptyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)C1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C19H30N4O2/c1-21(12-15-11-20-22(2)13-15)19(25)16-9-10-18(24)23(14-16)17-7-5-3-4-6-8-17/h11,13,16-17H,3-10,12,14H2,1-2H3
InChIKeyXXEHRBCKHKOXMA-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.34
Rot. Bonds4

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

1-cycloheptyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24818933) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-cycloheptyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24818933
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-cycloheptyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)C1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C19H30N4O2/c1-21(12-15-11-20-22(2)13-15)19(25)16-9-10-18(24)23(14-16)17-7-5-3-4-6-8-17/h11,13,16-17H,3-10,12,14H2,1-2H3
InChIKeyXXEHRBCKHKOXMA-UHFFFAOYSA-N
XLogP2.34
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.34
H-Bond Donors ≤ 50
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-(cyclohexylmethyl)-N-ethyl-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
CID 24790120
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
2-Methyl-6-[3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 53564620
2-Cyclohexyl-1-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 53572034
6-[4-[(1-Ethylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 53595794
9-(cyclopropylmethyl)-4-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 70775064
8-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70779868
N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-(tetrahydro-2H-pyran-4-yl)-3-piperidinecarboxamide
CID 72857943
1-cyclopentyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72873054
2-(cyclopropylmethyl)-9-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72913360

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-cycloheptyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 24818933) is 1-cycloheptyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-cycloheptyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-cycloheptyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide is CN(Cc1cnn(C)c1)C(=O)C1CCC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of 1-cycloheptyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is XXEHRBCKHKOXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-21(12-15-11-20-22(2)13-15)19(25)16-9-10-18(24)23(14-16)17-7-5-3-4-6-8-17/h11,13,16-17H,3-10,12,14H2,1-2H3.
What are the key properties of 1-cycloheptyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-cycloheptyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24818933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).