(3S)-1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxamide

C13H22N4O — CID 99972040

IUPAC(3S)-1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxamide
SMILESCN1CCC[C@H](C(=O)NCCc2ccnn2C)C1
InChIInChI=1S/C13H22N4O/c1-16-9-3-4-11(10-16)13(18)14-7-5-12-6-8-15-17(12)2/h6,8,11H,3-5,7,9-10H2,1-2H3,(H,14,18)/t11-/m0/s1
InChIKeyFRRONAWTGCYRBY-NSHDSACASA-N
MW250.35 g/mol
LogP0.42
Rot. Bonds4

About (3S)-1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxamide

(3S)-1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxamide (PubChem CID 99972040) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (3S)-1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxamide
PubChem CID99972040
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(3S)-1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxamide
SMILESCN1CCC[C@H](C(=O)NCCc2ccnn2C)C1
InChIInChI=1S/C13H22N4O/c1-16-9-3-4-11(10-16)13(18)14-7-5-12-6-8-15-17(12)2/h6,8,11H,3-5,7,9-10H2,1-2H3,(H,14,18)/t11-/m0/s1
InChIKeyFRRONAWTGCYRBY-NSHDSACASA-N
XLogP0.42
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxamide (CID 99972040) is (3S)-1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxamide is CN1CCC[C@H](C(=O)NCCc2ccnn2C)C1.
What is the InChIKey of (3S)-1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is FRRONAWTGCYRBY-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N4O/c1-16-9-3-4-11(10-16)13(18)14-7-5-12-6-8-15-17(12)2/h6,8,11H,3-5,7,9-10H2,1-2H3,(H,14,18)/t11-/m0/s1.
What are the key properties of (3S)-1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxamide?
(3S)-1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 99972040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).