5-methyl-1-[(2-methyl-5-morpholin-4-ylphenyl)carbamoyl]piperidine-3-carboxylic acid

C19H27N3O4 — CID 122103044

IUPAC5-methyl-1-[(2-methyl-5-morpholin-4-ylphenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(N2CCOCC2)cc1NC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C19H27N3O4/c1-13-9-15(18(23)24)12-22(11-13)19(25)20-17-10-16(4-3-14(17)2)21-5-7-26-8-6-21/h3-4,10,13,15H,5-9,11-12H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyDRYNRTLCBBMYRN-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.41
Rot. Bonds3

About 5-methyl-1-[(2-methyl-5-morpholin-4-ylphenyl)carbamoyl]piperidine-3-carboxylic acid

5-methyl-1-[(2-methyl-5-morpholin-4-ylphenyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122103044) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 5-methyl-1-[(2-methyl-5-morpholin-4-ylphenyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[(2-methyl-5-morpholin-4-ylphenyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID122103044
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name5-methyl-1-[(2-methyl-5-morpholin-4-ylphenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(N2CCOCC2)cc1NC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C19H27N3O4/c1-13-9-15(18(23)24)12-22(11-13)19(25)20-17-10-16(4-3-14(17)2)21-5-7-26-8-6-21/h3-4,10,13,15H,5-9,11-12H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyDRYNRTLCBBMYRN-UHFFFAOYSA-N
XLogP2.41
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
CID 122102923
1-[(3-fluoro-5-morpholin-4-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102256
5-methyl-1-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122101998
1-[(5-bromo-2,4-dimethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102886
1-[(2,5-dimethyl-4-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 166238376
5-methyl-1-[(2-methyl-5-pyridin-3-ylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122103026
(3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide
CID 27806673
1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101967
5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122102444
5-methyl-1-[(4-methyl-3-nitrophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122101780
1-[(2,6-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101826
1-[(4,5-difluoro-2-piperidin-1-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103164

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(2-methyl-5-morpholin-4-ylphenyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[(2-methyl-5-morpholin-4-ylphenyl)carbamoyl]piperidine-3-carboxylic acid (CID 122103044) is 5-methyl-1-[(2-methyl-5-morpholin-4-ylphenyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[(2-methyl-5-morpholin-4-ylphenyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[(2-methyl-5-morpholin-4-ylphenyl)carbamoyl]piperidine-3-carboxylic acid is Cc1ccc(N2CCOCC2)cc1NC(=O)N1CC(C)CC(C(=O)O)C1.
What is the InChIKey of 5-methyl-1-[(2-methyl-5-morpholin-4-ylphenyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is DRYNRTLCBBMYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-13-9-15(18(23)24)12-22(11-13)19(25)20-17-10-16(4-3-14(17)2)21-5-7-26-8-6-21/h3-4,10,13,15H,5-9,11-12H2,1-2H3,(H,20,25)(H,23,24).
What are the key properties of 5-methyl-1-[(2-methyl-5-morpholin-4-ylphenyl)carbamoyl]piperidine-3-carboxylic acid?
5-methyl-1-[(2-methyl-5-morpholin-4-ylphenyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 361.44 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(2-methyl-5-morpholin-4-ylphenyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122103044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).