2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid

C25H31N3O3 — CID 157402841

IUPAC2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid
SMILESCc1ccc(NC(=O)C2CCN(C(C)C(=O)O)CC2)cc1-c1ccc2c(n1)CCCC2
InChIInChI=1S/C25H31N3O3/c1-16-7-9-20(15-21(16)23-10-8-18-5-3-4-6-22(18)27-23)26-24(29)19-11-13-28(14-12-19)17(2)25(30)31/h7-10,15,17,19H,3-6,11-14H2,1-2H3,(H,26,29)(H,30,31)
InChIKeyDHPKMFRRBCCHLW-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.06
Rot. Bonds5

About 2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid

2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid (PubChem CID 157402841) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid
PubChem CID157402841
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid
SMILESCc1ccc(NC(=O)C2CCN(C(C)C(=O)O)CC2)cc1-c1ccc2c(n1)CCCC2
InChIInChI=1S/C25H31N3O3/c1-16-7-9-20(15-21(16)23-10-8-18-5-3-4-6-22(18)27-23)26-24(29)19-11-13-28(14-12-19)17(2)25(30)31/h7-10,15,17,19H,3-6,11-14H2,1-2H3,(H,26,29)(H,30,31)
InChIKeyDHPKMFRRBCCHLW-UHFFFAOYSA-N
XLogP4.06
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid with MolForge

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Related Compounds

2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]-2-phenylacetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]acetic acid;2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]methylcarbamoyl]piperidin-1-yl]propanoic acid;1-(3-oxobutan-2-yl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-sulfonamide;2-[2-oxo-4-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid;2-phenyl-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylamino]piperidin-1-yl]acetic acid
CID 157402837
2-[4-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]propanoic acid
CID 119924327
N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide
CID 95968051
N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 648454
(2R)-2-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidin-1-yl]propanoic acid
CID 124689641
N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)cyclopentanecarboxamide
CID 110461340
1-acetyl-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide
CID 6468881
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473
2-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzoic acid
CID 69315923
(2S)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]propanoic acid
CID 142419026
1-[(2R)-1-amino-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134531
1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 78817808

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid?
The IUPAC name of 2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid (CID 157402841) is 2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid is Cc1ccc(NC(=O)C2CCN(C(C)C(=O)O)CC2)cc1-c1ccc2c(n1)CCCC2.
What is the InChIKey of 2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid?
The InChIKey is DHPKMFRRBCCHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-16-7-9-20(15-21(16)23-10-8-18-5-3-4-6-22(18)27-23)26-24(29)19-11-13-28(14-12-19)17(2)25(30)31/h7-10,15,17,19H,3-6,11-14H2,1-2H3,(H,26,29)(H,30,31).
What are the key properties of 2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid?
2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid has a molecular weight of 421.54 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)phenyl]carbamoyl]piperidin-1-yl]propanoic acid is sourced from PubChem (CID 157402841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).