(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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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).