2-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidine-3-carboxamide

C15H26N4O — CID 106779641

IUPAC2-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCCC(CC)n1ccc(CC2NCCCC2C(N)=O)n1
InChIInChI=1S/C15H26N4O/c1-3-12(4-2)19-9-7-11(18-19)10-14-13(15(16)20)6-5-8-17-14/h7,9,12-14,17H,3-6,8,10H2,1-2H3,(H2,16,20)
InChIKeyFOIHQMKURSPADC-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.64
Rot. Bonds6

About 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidine-3-carboxamide

2-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 106779641) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name2-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidine-3-carboxamide
PubChem CID106779641
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCCC(CC)n1ccc(CC2NCCCC2C(N)=O)n1
InChIInChI=1S/C15H26N4O/c1-3-12(4-2)19-9-7-11(18-19)10-14-13(15(16)20)6-5-8-17-14/h7,9,12-14,17H,3-6,8,10H2,1-2H3,(H2,16,20)
InChIKeyFOIHQMKURSPADC-UHFFFAOYSA-N
XLogP1.64
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-3-(1-methyl-2-piperidinyl)propanamide
CID 72867210
(3R*,5R*)-N-[2-(1-methyl-1H-pyrazol-5-yl)ethyl]-5-(pyrrolidin-1-ylcarbonyl)piperidine-3-carboxamide
CID 72941156
5-amino-6-(1-ethyl-1H-pyrazol-5-yl)piperidin-2-one
CID 114557867
rac-(5R,6R)-5-amino-6-(1-methyl-1H-pyrazol-5-yl)piperidin-2-one
CID 119031223
rac-methyl((((2R,3S)-1-methyl-2-(1-methyl-1H-pyrazol-5-yl)piperidin-3-yl)methyl))amine
CID 119031225
4-(1-methyl-1H-pyrazol-5-yl)pyrrolidin-2-one
CID 121599781
rac-(3R,4S)-4-(1,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 124679564
4-(1-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 130876962
1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 99778581
N~3~-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-1,3-piperidinedicarboxamide
CID 72892414
rac-(1R,2R)-2-(1-methyl-1H-pyrazol-5-yl)cyclopropane-1-carboxamide
CID 129565191
3-(1-methyl-1H-pyrazol-5-yl)-N-(piperidin-3-ylmethyl)propanamide
CID 74239540

Frequently Asked Questions

What is the IUPAC name of 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidine-3-carboxamide (CID 106779641) is 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidine-3-carboxamide is CCC(CC)n1ccc(CC2NCCCC2C(N)=O)n1.
What is the InChIKey of 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is FOIHQMKURSPADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-12(4-2)19-9-7-11(18-19)10-14-13(15(16)20)6-5-8-17-14/h7,9,12-14,17H,3-6,8,10H2,1-2H3,(H2,16,20).
What are the key properties of 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidine-3-carboxamide?
2-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 106779641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).