(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide

C15H24N4O2 — CID 97250457

IUPAC(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide
SMILESCc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@H]1CCCN(C)C1=O
InChIInChI=1S/C15H24N4O2/c1-9(14-10(2)17-18-11(14)3)8-13(20)16-12-6-5-7-19(4)15(12)21/h9,12H,5-8H2,1-4H3,(H,16,20)(H,17,18)/t9-,12-/m0/s1
InChIKeyRCMQJSIIDOYLBJ-CABZTGNLSA-N
MW292.38 g/mol
LogP1.26
Rot. Bonds4

About (3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide

(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide (PubChem CID 97250457) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide.

Molecular Properties

Compound Name(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide
PubChem CID97250457
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide
SMILESCc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@H]1CCCN(C)C1=O
InChIInChI=1S/C15H24N4O2/c1-9(14-10(2)17-18-11(14)3)8-13(20)16-12-6-5-7-19(4)15(12)21/h9,12H,5-8H2,1-4H3,(H,16,20)(H,17,18)/t9-,12-/m0/s1
InChIKeyRCMQJSIIDOYLBJ-CABZTGNLSA-N
XLogP1.26
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide?
The IUPAC name of (3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide (CID 97250457) is (3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide.
What is the SMILES notation for (3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide?
The canonical SMILES for (3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide is Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@H]1CCCN(C)C1=O.
What is the InChIKey of (3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide?
The InChIKey is RCMQJSIIDOYLBJ-CABZTGNLSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-9(14-10(2)17-18-11(14)3)8-13(20)16-12-6-5-7-19(4)15(12)21/h9,12H,5-8H2,1-4H3,(H,16,20)(H,17,18)/t9-,12-/m0/s1.
What are the key properties of (3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide?
(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide has a molecular weight of 292.38 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide is sourced from PubChem (CID 97250457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).