3-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclohexane-1-carboxamide

C16H27N5O — CID 119889300

IUPAC3-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclohexane-1-carboxamide
SMILESCn1cc(N2CCCC(NC(=O)C3CCCC(N)C3)C2)cn1
InChIInChI=1S/C16H27N5O/c1-20-11-15(9-18-20)21-7-3-6-14(10-21)19-16(22)12-4-2-5-13(17)8-12/h9,11-14H,2-8,10,17H2,1H3,(H,19,22)
InChIKeyNRKQUAZROOLZMK-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.02
Rot. Bonds3

About 3-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclohexane-1-carboxamide

3-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclohexane-1-carboxamide (PubChem CID 119889300) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 3-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclohexane-1-carboxamide
PubChem CID119889300
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name3-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclohexane-1-carboxamide
SMILESCn1cc(N2CCCC(NC(=O)C3CCCC(N)C3)C2)cn1
InChIInChI=1S/C16H27N5O/c1-20-11-15(9-18-20)21-7-3-6-14(10-21)19-16(22)12-4-2-5-13(17)8-12/h9,11-14H,2-8,10,17H2,1H3,(H,19,22)
InChIKeyNRKQUAZROOLZMK-UHFFFAOYSA-N
XLogP1.02
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99775077
[(1S,3S)-3-aminocyclohexyl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
CID 124696422
1-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119889303
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 119884210
3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
CID 124590228
3-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119899510
3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 62775601
2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone
CID 162015227
N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,2,5-thiadiazole-3-carboxamide
CID 124590300
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide
CID 119889292
2-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800769
1-tert-butyl-5-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-4-carboxamide
CID 124590432

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclohexane-1-carboxamide (CID 119889300) is 3-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclohexane-1-carboxamide is Cn1cc(N2CCCC(NC(=O)C3CCCC(N)C3)C2)cn1.
What is the InChIKey of 3-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclohexane-1-carboxamide?
The InChIKey is NRKQUAZROOLZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-20-11-15(9-18-20)21-7-3-6-14(10-21)19-16(22)12-4-2-5-13(17)8-12/h9,11-14H,2-8,10,17H2,1H3,(H,19,22).
What are the key properties of 3-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclohexane-1-carboxamide?
3-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclohexane-1-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119889300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).