(3S)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide

C12H17N3O2 — CID 81124827

IUPAC(3S)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide
SMILESCn1cc(NC(=O)[C@H]2CCCNC2)ccc1=O
InChIInChI=1S/C12H17N3O2/c1-15-8-10(4-5-11(15)16)14-12(17)9-3-2-6-13-7-9/h4-5,8-9,13H,2-3,6-7H2,1H3,(H,14,17)/t9-/m0/s1
InChIKeyUPDJOFVPDURODE-VIFPVBQESA-N
MW235.29 g/mol
LogP0.32
Rot. Bonds2

About (3S)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide

(3S)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide (PubChem CID 81124827) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (3S)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide
PubChem CID81124827
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(3S)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide
SMILESCn1cc(NC(=O)[C@H]2CCCNC2)ccc1=O
InChIInChI=1S/C12H17N3O2/c1-15-8-10(4-5-11(15)16)14-12(17)9-3-2-6-13-7-9/h4-5,8-9,13H,2-3,6-7H2,1H3,(H,14,17)/t9-/m0/s1
InChIKeyUPDJOFVPDURODE-VIFPVBQESA-N
XLogP0.32
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide (CID 81124827) is (3S)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide is Cn1cc(NC(=O)[C@H]2CCCNC2)ccc1=O.
What is the InChIKey of (3S)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide?
The InChIKey is UPDJOFVPDURODE-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15-8-10(4-5-11(15)16)14-12(17)9-3-2-6-13-7-9/h4-5,8-9,13H,2-3,6-7H2,1H3,(H,14,17)/t9-/m0/s1.
What are the key properties of (3S)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide?
(3S)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 81124827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).