N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanamide

C12H18N4O2 — CID 54876820

IUPACN-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C12H18N4O2/c1-2-11(17)15-10-3-5-16(6-4-10)12(18)9-7-13-14-8-9/h7-8,10H,2-6H2,1H3,(H,13,14)(H,15,17)
InChIKeyOZKXBEBLPSCXMR-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.54
Rot. Bonds3

About N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanamide

N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanamide (PubChem CID 54876820) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanamide
PubChem CID54876820
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C12H18N4O2/c1-2-11(17)15-10-3-5-16(6-4-10)12(18)9-7-13-14-8-9/h7-8,10H,2-6H2,1H3,(H,13,14)(H,15,17)
InChIKeyOZKXBEBLPSCXMR-UHFFFAOYSA-N
XLogP0.54
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(ethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 60818050
2-methyl-N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 54876957
[4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63250783
(4-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 63390634
[4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 43582926
[4-(1-aminoethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63595151
(4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 43582709
1H-pyrazol-4-yl-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 54877453
N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110820378
N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 124628014
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 136577275
ethyl (1S,6R,7R)-3-(1H-pyrazole-4-carbonyl)-3-azabicyclo[4.1.0]heptane-7-carboxylate
CID 166255778

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanamide (CID 54876820) is N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanamide is CCC(=O)NC1CCN(C(=O)c2cn[nH]c2)CC1.
What is the InChIKey of N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is OZKXBEBLPSCXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-11(17)15-10-3-5-16(6-4-10)12(18)9-7-13-14-8-9/h7-8,10H,2-6H2,1H3,(H,13,14)(H,15,17).
What are the key properties of N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanamide?
N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 250.30 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 54876820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).