N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide

C18H30N4O — CID 119065114

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
SMILESCc1c(CNC(=O)C2(N3CCCCC3)CCCCC2)cnn1C
InChIInChI=1S/C18H30N4O/c1-15-16(14-20-21(15)2)13-19-17(23)18(9-5-3-6-10-18)22-11-7-4-8-12-22/h14H,3-13H2,1-2H3,(H,19,23)
InChIKeyBNHVWRKOVUNBMK-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.53
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide (PubChem CID 119065114) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
PubChem CID119065114
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
SMILESCc1c(CNC(=O)C2(N3CCCCC3)CCCCC2)cnn1C
InChIInChI=1S/C18H30N4O/c1-15-16(14-20-21(15)2)13-19-17(23)18(9-5-3-6-10-18)22-11-7-4-8-12-22/h14H,3-13H2,1-2H3,(H,19,23)
InChIKeyBNHVWRKOVUNBMK-UHFFFAOYSA-N
XLogP2.53
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309687
1-(cyclohexylmethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24817829
N-[3-(4-propylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307720
N-[(2-ethylpyrazol-3-yl)methyl]cyclohexanecarboxamide
CID 19294730
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclohexanecarboxamide
CID 19469143
N-[(1-methyl-1H-pyrazol-5-yl)methyl]cyclohexanecarboxamide
CID 19575432
N-cyclopentyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 110244221
1-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide
CID 110253470
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2-(1-isopropyl-3-oxopiperazin-2-yl)-N-methylacetamide
CID 50968875
N-(3-piperidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 6623677
(1S,11R)-2-[2-(3-methylpyrazol-1-yl)acetyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201270
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]cyclopentanecarboxamide
CID 1758538

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide (CID 119065114) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide is Cc1c(CNC(=O)C2(N3CCCCC3)CCCCC2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide?
The InChIKey is BNHVWRKOVUNBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-15-16(14-20-21(15)2)13-19-17(23)18(9-5-3-6-10-18)22-11-7-4-8-12-22/h14H,3-13H2,1-2H3,(H,19,23).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 119065114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).