N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide

C17H28N4O — CID 171993172

IUPACN-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCCN(CC3CCCCC3)C2)cn1
InChIInChI=1S/C17H28N4O/c1-20-12-15(10-18-20)17(22)19-16-8-5-9-21(13-16)11-14-6-3-2-4-7-14/h10,12,14,16H,2-9,11,13H2,1H3,(H,19,22)
InChIKeyUDCWEFSBBURWER-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.19
Rot. Bonds4

About N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide

N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 171993172) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
PubChem CID171993172
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCCN(CC3CCCCC3)C2)cn1
InChIInChI=1S/C17H28N4O/c1-20-12-15(10-18-20)17(22)19-16-8-5-9-21(13-16)11-14-6-3-2-4-7-14/h10,12,14,16H,2-9,11,13H2,1H3,(H,19,22)
InChIKeyUDCWEFSBBURWER-UHFFFAOYSA-N
XLogP2.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(azepan-1-yl)-2-oxoethyl]piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993873
1-methyl-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrazole-4-carboxamide
CID 171994150
1-methyl-N-[1-(2-phenoxyethyl)piperidin-3-yl]pyrazole-4-carboxamide
CID 171995331
N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylbenzamide
CID 25448585
N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-1-oxidopyridin-1-ium-4-carboxamide
CID 26407655
N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 45196321
N-[1-[(3-cyanophenyl)methyl]piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 172933813
N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-methylfuran-3-carboxamide
CID 45178957
N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 42592717
N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95716198
1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 47170090
N-[1-(cyclohexylmethyl)piperidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 45186564

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide (CID 171993172) is N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC2CCCN(CC3CCCCC3)C2)cn1.
What is the InChIKey of N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is UDCWEFSBBURWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-20-12-15(10-18-20)17(22)19-16-8-5-9-21(13-16)11-14-6-3-2-4-7-14/h10,12,14,16H,2-9,11,13H2,1H3,(H,19,22).
What are the key properties of N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 171993172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).