(3R,6S)-1-(2-cyclopropylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide

C20H23N3O2 — CID 95161082

IUPAC(3R,6S)-1-(2-cyclopropylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESC[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C20H23N3O2/c1-12-6-7-14(19(21)24)11-23(12)20(25)16-10-18(13-8-9-13)22-17-5-3-2-4-15(16)17/h2-5,10,12-14H,6-9,11H2,1H3,(H2,21,24)/t12-,14+/m0/s1
InChIKeyQHNHHXWWSFJVFY-GXTWGEPZSA-N
MW337.42 g/mol
LogP2.84
Rot. Bonds3

About (3R,6S)-1-(2-cyclopropylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide

(3R,6S)-1-(2-cyclopropylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide (PubChem CID 95161082) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (3R,6S)-1-(2-cyclopropylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6S)-1-(2-cyclopropylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide
PubChem CID95161082
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(3R,6S)-1-(2-cyclopropylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESC[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C20H23N3O2/c1-12-6-7-14(19(21)24)11-23(12)20(25)16-10-18(13-8-9-13)22-17-5-3-2-4-15(16)17/h2-5,10,12-14H,6-9,11H2,1H3,(H2,21,24)/t12-,14+/m0/s1
InChIKeyQHNHHXWWSFJVFY-GXTWGEPZSA-N
XLogP2.84
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,6S)-6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxamide
CID 95290424
6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 122083564
(2S,4S)-4-amino-1-(2-cyclopropylquinoline-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 56701446
[2-(1-aminoethyl)piperidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone
CID 119435832
(3R,6S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95274650
(3S,6S)-6-methyl-1-(quinoline-2-carbonyl)piperidine-3-carboxamide
CID 95151470
(2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120569385
1-(2,4-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide
CID 103892090
1-(2,5-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide
CID 103892089
[2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119632453
(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119374525
(3R,6R)-6-methyl-1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-3-carboxamide
CID 95585010

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-1-(2-cyclopropylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3R,6S)-1-(2-cyclopropylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide (CID 95161082) is (3R,6S)-1-(2-cyclopropylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,6S)-1-(2-cyclopropylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R,6S)-1-(2-cyclopropylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide is C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of (3R,6S)-1-(2-cyclopropylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is QHNHHXWWSFJVFY-GXTWGEPZSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-12-6-7-14(19(21)24)11-23(12)20(25)16-10-18(13-8-9-13)22-17-5-3-2-4-15(16)17/h2-5,10,12-14H,6-9,11H2,1H3,(H2,21,24)/t12-,14+/m0/s1.
What are the key properties of (3R,6S)-1-(2-cyclopropylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide?
(3R,6S)-1-(2-cyclopropylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-1-(2-cyclopropylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95161082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).