N-[(3-methylcyclohexyl)methyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide

C18H30N4O — CID 166202868

IUPACN-[(3-methylcyclohexyl)methyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
SMILESCc1cnn(C2CCCN(C(=O)NCC3CCCC(C)C3)C2)c1
InChIInChI=1S/C18H30N4O/c1-14-5-3-6-16(9-14)11-19-18(23)21-8-4-7-17(13-21)22-12-15(2)10-20-22/h10,12,14,16-17H,3-9,11,13H2,1-2H3,(H,19,23)
InChIKeyJGYHDHDBYXRZHC-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.36
Rot. Bonds3

About N-[(3-methylcyclohexyl)methyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide

N-[(3-methylcyclohexyl)methyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide (PubChem CID 166202868) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[(3-methylcyclohexyl)methyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methylcyclohexyl)methyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
PubChem CID166202868
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC NameN-[(3-methylcyclohexyl)methyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
SMILESCc1cnn(C2CCCN(C(=O)NCC3CCCC(C)C3)C2)c1
InChIInChI=1S/C18H30N4O/c1-14-5-3-6-16(9-14)11-19-18(23)21-8-4-7-17(13-21)22-12-15(2)10-20-22/h10,12,14,16-17H,3-9,11,13H2,1-2H3,(H,19,23)
InChIKeyJGYHDHDBYXRZHC-UHFFFAOYSA-N
XLogP3.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-tert-butylsulfinylethyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 122137381
(3R)-N-(2-methylpropyl)-3-[2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 97073545
3-(4-methylpyrazol-1-yl)-1-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95289673
N-[(3-hydroxycyclohexyl)methyl]-3-methylpiperidine-1-carboxamide
CID 106124949
(3R)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 124588249
(3S)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 124557774
3-(hydroxymethyl)-N-[(3-methylcyclohexyl)methyl]pyrrolidine-1-carboxamide
CID 111443830
2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 119881436
3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
CID 119881484
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]methanone
CID 95284553
[4-(cyclopropylmethoxy)phenyl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95606757
N-methyl-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]cyclobutane-1-carboxamide
CID 95280605

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexyl)methyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(3-methylcyclohexyl)methyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide (CID 166202868) is N-[(3-methylcyclohexyl)methyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(3-methylcyclohexyl)methyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(3-methylcyclohexyl)methyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide is Cc1cnn(C2CCCN(C(=O)NCC3CCCC(C)C3)C2)c1.
What is the InChIKey of N-[(3-methylcyclohexyl)methyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
The InChIKey is JGYHDHDBYXRZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-14-5-3-6-16(9-14)11-19-18(23)21-8-4-7-17(13-21)22-12-15(2)10-20-22/h10,12,14,16-17H,3-9,11,13H2,1-2H3,(H,19,23).
What are the key properties of N-[(3-methylcyclohexyl)methyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
N-[(3-methylcyclohexyl)methyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclohexyl)methyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 166202868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).