(3S)-1-N-(1,3-dimethyl-5-methylsulfanylpyrazol-4-yl)piperidine-1,3-dicarboxamide

C13H21N5O2S — CID 172908536

IUPAC(3S)-1-N-(1,3-dimethyl-5-methylsulfanylpyrazol-4-yl)piperidine-1,3-dicarboxamide
SMILESCSc1c(NC(=O)N2CCC[C@H](C(N)=O)C2)c(C)nn1C
InChIInChI=1S/C13H21N5O2S/c1-8-10(12(21-3)17(2)16-8)15-13(20)18-6-4-5-9(7-18)11(14)19/h9H,4-7H2,1-3H3,(H2,14,19)(H,15,20)/t9-/m0/s1
InChIKeyFQKAQMHJXGTAAH-VIFPVBQESA-N
MW311.41 g/mol
LogP1.18
Rot. Bonds3

About (3S)-1-N-(1,3-dimethyl-5-methylsulfanylpyrazol-4-yl)piperidine-1,3-dicarboxamide

(3S)-1-N-(1,3-dimethyl-5-methylsulfanylpyrazol-4-yl)piperidine-1,3-dicarboxamide (PubChem CID 172908536) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is (3S)-1-N-(1,3-dimethyl-5-methylsulfanylpyrazol-4-yl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N-(1,3-dimethyl-5-methylsulfanylpyrazol-4-yl)piperidine-1,3-dicarboxamide
PubChem CID172908536
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name(3S)-1-N-(1,3-dimethyl-5-methylsulfanylpyrazol-4-yl)piperidine-1,3-dicarboxamide
SMILESCSc1c(NC(=O)N2CCC[C@H](C(N)=O)C2)c(C)nn1C
InChIInChI=1S/C13H21N5O2S/c1-8-10(12(21-3)17(2)16-8)15-13(20)18-6-4-5-9(7-18)11(14)19/h9H,4-7H2,1-3H3,(H2,14,19)(H,15,20)/t9-/m0/s1
InChIKeyFQKAQMHJXGTAAH-VIFPVBQESA-N
XLogP1.18
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-N-(3-chloro-2-methyl-4-pyridinyl)piperidine-1,3-dicarboxamide
CID 129359179
1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide
CID 119053091
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045
1-(hydrazinecarbonyl)piperidine-3-carboxamide
CID 43164061
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
1-N-(3-chloro-2,6-diethylphenyl)piperidine-1,3-dicarboxamide
CID 126805479
1-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]piperidine-1,3-dicarboxamide
CID 72902640
(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
CID 7366630
(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 54920320
(3R)-1-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]piperidine-1,3-dicarboxamide
CID 124735992
(3S)-1-N-(2-cyclopropylsulfanylphenyl)piperidine-1,3-dicarboxamide
CID 172908594

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N-(1,3-dimethyl-5-methylsulfanylpyrazol-4-yl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N-(1,3-dimethyl-5-methylsulfanylpyrazol-4-yl)piperidine-1,3-dicarboxamide (CID 172908536) is (3S)-1-N-(1,3-dimethyl-5-methylsulfanylpyrazol-4-yl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N-(1,3-dimethyl-5-methylsulfanylpyrazol-4-yl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N-(1,3-dimethyl-5-methylsulfanylpyrazol-4-yl)piperidine-1,3-dicarboxamide is CSc1c(NC(=O)N2CCC[C@H](C(N)=O)C2)c(C)nn1C.
What is the InChIKey of (3S)-1-N-(1,3-dimethyl-5-methylsulfanylpyrazol-4-yl)piperidine-1,3-dicarboxamide?
The InChIKey is FQKAQMHJXGTAAH-VIFPVBQESA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-8-10(12(21-3)17(2)16-8)15-13(20)18-6-4-5-9(7-18)11(14)19/h9H,4-7H2,1-3H3,(H2,14,19)(H,15,20)/t9-/m0/s1.
What are the key properties of (3S)-1-N-(1,3-dimethyl-5-methylsulfanylpyrazol-4-yl)piperidine-1,3-dicarboxamide?
(3S)-1-N-(1,3-dimethyl-5-methylsulfanylpyrazol-4-yl)piperidine-1,3-dicarboxamide has a molecular weight of 311.41 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N-(1,3-dimethyl-5-methylsulfanylpyrazol-4-yl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 172908536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).