(3S)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxamide

C15H24N4O2 — CID 97065153

IUPAC(3S)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxamide
SMILESCc1nn(C)c(C)c1CCC(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C15H24N4O2/c1-10-13(11(2)18(3)17-10)6-7-14(20)19-8-4-5-12(9-19)15(16)21/h12H,4-9H2,1-3H3,(H2,16,21)/t12-/m0/s1
InChIKeyXIZATOVASVWMTN-LBPRGKRZSA-N
MW292.38 g/mol
LogP0.69
Rot. Bonds4

About (3S)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxamide

(3S)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxamide (PubChem CID 97065153) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3S)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxamide
PubChem CID97065153
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(3S)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxamide
SMILESCc1nn(C)c(C)c1CCC(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C15H24N4O2/c1-10-13(11(2)18(3)17-10)6-7-14(20)19-8-4-5-12(9-19)15(16)21/h12H,4-9H2,1-3H3,(H2,16,21)/t12-/m0/s1
InChIKeyXIZATOVASVWMTN-LBPRGKRZSA-N
XLogP0.69
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cycloheptyl-N-methyl-6-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24793140
1-cycloheptyl-N-isopropyl-6-oxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinecarboxamide
CID 24793825
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N,N-dimethylpropanamide
CID 45807788
N,N-diethyl-1-{2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl}piperidine-3-carboxamide
CID 50976449
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51097118
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-cyclopropyl-N-propan-2-ylpropanamide
CID 53512119
4-[[3-(1,3,5-Trimethylpyrazol-4-yl)propanoylamino]methyl]oxane-4-carboxamide
CID 56808467
N~3~-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-piperidinedicarboxamide
CID 70749819
1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 70759029
1-acetyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-piperidinecarboxamide
CID 72845553
N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(methoxyacetyl)-3-piperidinecarboxamide
CID 72880511
1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-piperidinecarboxamide
CID 72880570

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxamide (CID 97065153) is (3S)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxamide is Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxamide?
The InChIKey is XIZATOVASVWMTN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10-13(11(2)18(3)17-10)6-7-14(20)19-8-4-5-12(9-19)15(16)21/h12H,4-9H2,1-3H3,(H2,16,21)/t12-/m0/s1.
What are the key properties of (3S)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxamide?
(3S)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 97065153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).