(3S,6S)-6-methyl-1-(2-quinolin-8-ylacetyl)piperidine-3-carboxamide

C18H21N3O2 — CID 95585501

IUPAC(3S,6S)-6-methyl-1-(2-quinolin-8-ylacetyl)piperidine-3-carboxamide
SMILESC[C@H]1CC[C@H](C(N)=O)CN1C(=O)Cc1cccc2cccnc12
InChIInChI=1S/C18H21N3O2/c1-12-7-8-15(18(19)23)11-21(12)16(22)10-14-5-2-4-13-6-3-9-20-17(13)14/h2-6,9,12,15H,7-8,10-11H2,1H3,(H2,19,23)/t12-,15-/m0/s1
InChIKeyFHAMCYWKXYROKF-WFASDCNBSA-N
MW311.38 g/mol
LogP1.89
Rot. Bonds3

About (3S,6S)-6-methyl-1-(2-quinolin-8-ylacetyl)piperidine-3-carboxamide

(3S,6S)-6-methyl-1-(2-quinolin-8-ylacetyl)piperidine-3-carboxamide (PubChem CID 95585501) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (3S,6S)-6-methyl-1-(2-quinolin-8-ylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6S)-6-methyl-1-(2-quinolin-8-ylacetyl)piperidine-3-carboxamide
PubChem CID95585501
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name(3S,6S)-6-methyl-1-(2-quinolin-8-ylacetyl)piperidine-3-carboxamide
SMILESC[C@H]1CC[C@H](C(N)=O)CN1C(=O)Cc1cccc2cccnc12
InChIInChI=1S/C18H21N3O2/c1-12-7-8-15(18(19)23)11-21(12)16(22)10-14-5-2-4-13-6-3-9-20-17(13)14/h2-6,9,12,15H,7-8,10-11H2,1H3,(H2,19,23)/t12-,15-/m0/s1
InChIKeyFHAMCYWKXYROKF-WFASDCNBSA-N
XLogP1.89
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(aminomethyl)phenyl]acetyl]-6-methylpiperidine-3-carboxamide
CID 81312924
(3R,6S)-1-[2-(3-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide
CID 95313879
(3S,6S)-1-[2-(2-ethylphenoxy)acetyl]-6-methylpiperidine-3-carboxamide
CID 94809382
(3R,6S)-1-[2-(4-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide
CID 94200570
(3R,6R)-1-[2-(2,4-dichlorophenyl)acetyl]-6-methylpiperidine-3-carboxamide
CID 95585226
cis-(1S,3R)-3-[(2-quinolin-8-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 120674754
1-[[2-(aminomethyl)-3-pyridinyl]methyl]-6-methylpiperidine-3-carboxamide
CID 62894836
(3S,6S)-6-methyl-1-[2-(2-phenyltriazol-4-yl)acetyl]piperidine-3-carboxamide
CID 95151645
1-(3-aminopropanoyl)-6-methylpiperidine-3-carboxamide;hydrochloride
CID 119291566
1-(2-anilinoacetyl)-6-methylpiperidine-3-carboxamide
CID 60963532
(3S,6S)-1-(3-indol-1-ylpropanoyl)-6-methylpiperidine-3-carboxamide
CID 95585123
1-(2-benzylpyrrolidin-1-yl)-2-quinolin-8-ylethanone
CID 51338069

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-methyl-1-(2-quinolin-8-ylacetyl)piperidine-3-carboxamide?
The IUPAC name of (3S,6S)-6-methyl-1-(2-quinolin-8-ylacetyl)piperidine-3-carboxamide (CID 95585501) is (3S,6S)-6-methyl-1-(2-quinolin-8-ylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S,6S)-6-methyl-1-(2-quinolin-8-ylacetyl)piperidine-3-carboxamide?
The canonical SMILES for (3S,6S)-6-methyl-1-(2-quinolin-8-ylacetyl)piperidine-3-carboxamide is C[C@H]1CC[C@H](C(N)=O)CN1C(=O)Cc1cccc2cccnc12.
What is the InChIKey of (3S,6S)-6-methyl-1-(2-quinolin-8-ylacetyl)piperidine-3-carboxamide?
The InChIKey is FHAMCYWKXYROKF-WFASDCNBSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-7-8-15(18(19)23)11-21(12)16(22)10-14-5-2-4-13-6-3-9-20-17(13)14/h2-6,9,12,15H,7-8,10-11H2,1H3,(H2,19,23)/t12-,15-/m0/s1.
What are the key properties of (3S,6S)-6-methyl-1-(2-quinolin-8-ylacetyl)piperidine-3-carboxamide?
(3S,6S)-6-methyl-1-(2-quinolin-8-ylacetyl)piperidine-3-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 1.89, 3 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-(2-quinolin-8-ylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 95585501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).