methyl 2-[[(2R)-2-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate

C24H25N3O3 — CID 26623752

IUPACmethyl 2-[[(2R)-2-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate
SMILESCOC(=O)c1c(CN2CCCC[C@@H]2C(N)=O)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C24H25N3O3/c1-30-24(29)22-19(15-27-14-8-7-13-20(27)23(25)28)26-18-12-6-5-11-17(18)21(22)16-9-3-2-4-10-16/h2-6,9-12,20H,7-8,13-15H2,1H3,(H2,25,28)/t20-/m1/s1
InChIKeyYNZIZAOKGBRPGI-HXUWFJFHSA-N
MW403.48 g/mol
LogP3.53
Rot. Bonds5

About methyl 2-[[(2R)-2-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate

methyl 2-[[(2R)-2-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate (PubChem CID 26623752) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is methyl 2-[[(2R)-2-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(2R)-2-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate
PubChem CID26623752
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Namemethyl 2-[[(2R)-2-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate
SMILESCOC(=O)c1c(CN2CCCC[C@@H]2C(N)=O)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C24H25N3O3/c1-30-24(29)22-19(15-27-14-8-7-13-20(27)23(25)28)26-18-12-6-5-11-17(18)21(22)16-9-3-2-4-10-16/h2-6,9-12,20H,7-8,13-15H2,1H3,(H2,25,28)/t20-/m1/s1
InChIKeyYNZIZAOKGBRPGI-HXUWFJFHSA-N
XLogP3.53
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[(3S)-3-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate
CID 8545211
methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-4-phenylquinoline-3-carboxylate
CID 55493975
3-[(3-methoxycarbonyl-4-phenylquinolin-2-yl)methyl]-4-oxophthalazine-1-carboxylic acid
CID 16610996
methyl 2-[(4-oxoquinazolin-3-yl)methyl]-4-phenylquinoline-3-carboxylate
CID 18198896
methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-phenylquinoline-3-carboxylate
CID 8910715
methyl 2-(azocan-1-ylmethyl)-4-methylquinoline-3-carboxylate
CID 8679831
methyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate
CID 115462737
(2R)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 94014669
methyl 2-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-4-phenylquinoline-3-carboxylate
CID 18279349
N-methyl-1-[(3-methylquinoxalin-2-yl)methyl]piperidine-2-carboxamide
CID 74236742
methyl 2-[(6-methylpyridine-3-carbonyl)oxymethyl]-4-phenylquinoline-3-carboxylate
CID 46538622
methyl 4-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate
CID 27714338

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2R)-2-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate?
The IUPAC name of methyl 2-[[(2R)-2-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate (CID 26623752) is methyl 2-[[(2R)-2-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate.
What is the SMILES notation for methyl 2-[[(2R)-2-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate?
The canonical SMILES for methyl 2-[[(2R)-2-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate is COC(=O)c1c(CN2CCCC[C@@H]2C(N)=O)nc2ccccc2c1-c1ccccc1.
What is the InChIKey of methyl 2-[[(2R)-2-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate?
The InChIKey is YNZIZAOKGBRPGI-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-30-24(29)22-19(15-27-14-8-7-13-20(27)23(25)28)26-18-12-6-5-11-17(18)21(22)16-9-3-2-4-10-16/h2-6,9-12,20H,7-8,13-15H2,1H3,(H2,25,28)/t20-/m1/s1.
What are the key properties of methyl 2-[[(2R)-2-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate?
methyl 2-[[(2R)-2-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate has a molecular weight of 403.48 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2R)-2-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate is sourced from PubChem (CID 26623752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).