(3S,6S)-6-methyl-1-(quinoline-2-carbonyl)piperidine-3-carboxamide

C17H19N3O2 — CID 95151470

IUPAC(3S,6S)-6-methyl-1-(quinoline-2-carbonyl)piperidine-3-carboxamide
SMILESC[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C17H19N3O2/c1-11-6-7-13(16(18)21)10-20(11)17(22)15-9-8-12-4-2-3-5-14(12)19-15/h2-5,8-9,11,13H,6-7,10H2,1H3,(H2,18,21)/t11-,13-/m0/s1
InChIKeyWMHPNVIOSLOSJJ-AAEUAGOBSA-N
MW297.36 g/mol
LogP1.96
Rot. Bonds2

About (3S,6S)-6-methyl-1-(quinoline-2-carbonyl)piperidine-3-carboxamide

(3S,6S)-6-methyl-1-(quinoline-2-carbonyl)piperidine-3-carboxamide (PubChem CID 95151470) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (3S,6S)-6-methyl-1-(quinoline-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6S)-6-methyl-1-(quinoline-2-carbonyl)piperidine-3-carboxamide
PubChem CID95151470
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(3S,6S)-6-methyl-1-(quinoline-2-carbonyl)piperidine-3-carboxamide
SMILESC[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C17H19N3O2/c1-11-6-7-13(16(18)21)10-20(11)17(22)15-9-8-12-4-2-3-5-14(12)19-15/h2-5,8-9,11,13H,6-7,10H2,1H3,(H2,18,21)/t11-,13-/m0/s1
InChIKeyWMHPNVIOSLOSJJ-AAEUAGOBSA-N
XLogP1.96
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-methyl-1-(quinoline-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S,6S)-6-methyl-1-(quinoline-2-carbonyl)piperidine-3-carboxamide (CID 95151470) is (3S,6S)-6-methyl-1-(quinoline-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S,6S)-6-methyl-1-(quinoline-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S,6S)-6-methyl-1-(quinoline-2-carbonyl)piperidine-3-carboxamide is C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc2ccccc2n1.
What is the InChIKey of (3S,6S)-6-methyl-1-(quinoline-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is WMHPNVIOSLOSJJ-AAEUAGOBSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-6-7-13(16(18)21)10-20(11)17(22)15-9-8-12-4-2-3-5-14(12)19-15/h2-5,8-9,11,13H,6-7,10H2,1H3,(H2,18,21)/t11-,13-/m0/s1.
What are the key properties of (3S,6S)-6-methyl-1-(quinoline-2-carbonyl)piperidine-3-carboxamide?
(3S,6S)-6-methyl-1-(quinoline-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-methyl-1-(quinoline-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 95151470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).