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

C24H25N3O3 — CID 8545211

IUPACmethyl 2-[[(3S)-3-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate
SMILESCOC(=O)c1c(CN2CCC[C@H](C(N)=O)C2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C24H25N3O3/c1-30-24(29)22-20(15-27-13-7-10-17(14-27)23(25)28)26-19-12-6-5-11-18(19)21(22)16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-15H2,1H3,(H2,25,28)/t17-/m0/s1
InChIKeyXAMYKAHSQFAOEF-KRWDZBQOSA-N
MW403.48 g/mol
LogP3.39
Rot. Bonds5

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

methyl 2-[[(3S)-3-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate (PubChem CID 8545211) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is methyl 2-[[(3S)-3-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(3S)-3-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate
PubChem CID8545211
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Namemethyl 2-[[(3S)-3-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate
SMILESCOC(=O)c1c(CN2CCC[C@H](C(N)=O)C2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C24H25N3O3/c1-30-24(29)22-20(15-27-13-7-10-17(14-27)23(25)28)26-19-12-6-5-11-18(19)21(22)16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-15H2,1H3,(H2,25,28)/t17-/m0/s1
InChIKeyXAMYKAHSQFAOEF-KRWDZBQOSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[(3S)-3-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[(2R)-2-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate
CID 26623752
methyl 2-(azocan-1-ylmethyl)-4-methylquinoline-3-carboxylate
CID 8679831
methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-4-phenylquinoline-3-carboxylate
CID 55493975
methyl 2-[(4-oxoquinazolin-3-yl)methyl]-4-phenylquinoline-3-carboxylate
CID 18198896
methyl 2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-4-methylquinoline-3-carboxylate
CID 8540042
(3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]piperidine-3-carboxylic acid
CID 124694319
methyl 2-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-4-phenylquinoline-3-carboxylate
CID 18279349
2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid
CID 43473268
methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate
CID 115537032
1-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-2-phenylethanone
CID 56885682
6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903916
1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 23884997

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3S)-3-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate?
The IUPAC name of methyl 2-[[(3S)-3-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate (CID 8545211) is methyl 2-[[(3S)-3-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate.
What is the SMILES notation for methyl 2-[[(3S)-3-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate?
The canonical SMILES for methyl 2-[[(3S)-3-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate is COC(=O)c1c(CN2CCC[C@H](C(N)=O)C2)nc2ccccc2c1-c1ccccc1.
What is the InChIKey of methyl 2-[[(3S)-3-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate?
The InChIKey is XAMYKAHSQFAOEF-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-30-24(29)22-20(15-27-13-7-10-17(14-27)23(25)28)26-19-12-6-5-11-18(19)21(22)16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-15H2,1H3,(H2,25,28)/t17-/m0/s1.
What are the key properties of methyl 2-[[(3S)-3-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate?
methyl 2-[[(3S)-3-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate has a molecular weight of 403.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3S)-3-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate is sourced from PubChem (CID 8545211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).