(3S)-1-acetyl-N-[1-(cyclopropylmethyl)pyrazol-4-yl]piperidine-3-carboxamide

C15H22N4O2 — CID 95749363

IUPAC(3S)-1-acetyl-N-[1-(cyclopropylmethyl)pyrazol-4-yl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@H](C(=O)Nc2cnn(CC3CC3)c2)C1
InChIInChI=1S/C15H22N4O2/c1-11(20)18-6-2-3-13(9-18)15(21)17-14-7-16-19(10-14)8-12-4-5-12/h7,10,12-13H,2-6,8-9H2,1H3,(H,17,21)/t13-/m0/s1
InChIKeyCMGUSDSOFGXJRI-ZDUSSCGKSA-N
MW290.37 g/mol
LogP1.49
Rot. Bonds4

About (3S)-1-acetyl-N-[1-(cyclopropylmethyl)pyrazol-4-yl]piperidine-3-carboxamide

(3S)-1-acetyl-N-[1-(cyclopropylmethyl)pyrazol-4-yl]piperidine-3-carboxamide (PubChem CID 95749363) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (3S)-1-acetyl-N-[1-(cyclopropylmethyl)pyrazol-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-acetyl-N-[1-(cyclopropylmethyl)pyrazol-4-yl]piperidine-3-carboxamide
PubChem CID95749363
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(3S)-1-acetyl-N-[1-(cyclopropylmethyl)pyrazol-4-yl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@H](C(=O)Nc2cnn(CC3CC3)c2)C1
InChIInChI=1S/C15H22N4O2/c1-11(20)18-6-2-3-13(9-18)15(21)17-14-7-16-19(10-14)8-12-4-5-12/h7,10,12-13H,2-6,8-9H2,1H3,(H,17,21)/t13-/m0/s1
InChIKeyCMGUSDSOFGXJRI-ZDUSSCGKSA-N
XLogP1.49
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-acetyl-N-[1-(cyclopropylmethyl)pyrazol-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-acetyl-N-[1-(cyclopropylmethyl)pyrazol-4-yl]piperidine-3-carboxamide (CID 95749363) is (3S)-1-acetyl-N-[1-(cyclopropylmethyl)pyrazol-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-acetyl-N-[1-(cyclopropylmethyl)pyrazol-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-acetyl-N-[1-(cyclopropylmethyl)pyrazol-4-yl]piperidine-3-carboxamide is CC(=O)N1CCC[C@H](C(=O)Nc2cnn(CC3CC3)c2)C1.
What is the InChIKey of (3S)-1-acetyl-N-[1-(cyclopropylmethyl)pyrazol-4-yl]piperidine-3-carboxamide?
The InChIKey is CMGUSDSOFGXJRI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11(20)18-6-2-3-13(9-18)15(21)17-14-7-16-19(10-14)8-12-4-5-12/h7,10,12-13H,2-6,8-9H2,1H3,(H,17,21)/t13-/m0/s1.
What are the key properties of (3S)-1-acetyl-N-[1-(cyclopropylmethyl)pyrazol-4-yl]piperidine-3-carboxamide?
(3S)-1-acetyl-N-[1-(cyclopropylmethyl)pyrazol-4-yl]piperidine-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-acetyl-N-[1-(cyclopropylmethyl)pyrazol-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95749363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).