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

C21H31N3O4 — CID 122122754

IUPAC5-methyl-1-[(1-morpholin-4-yl-3-phenylpropan-2-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NC(Cc2ccccc2)CN2CCOCC2)C1
InChIInChI=1S/C21H31N3O4/c1-16-11-18(20(25)26)14-24(13-16)21(27)22-19(12-17-5-3-2-4-6-17)15-23-7-9-28-10-8-23/h2-6,16,18-19H,7-15H2,1H3,(H,22,27)(H,25,26)
InChIKeyPZVWRDSSQYSHBQ-UHFFFAOYSA-N
MW389.50 g/mol
LogP1.68
Rot. Bonds6

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

5-methyl-1-[(1-morpholin-4-yl-3-phenylpropan-2-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122122754) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-methyl-1-[(1-morpholin-4-yl-3-phenylpropan-2-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[(1-morpholin-4-yl-3-phenylpropan-2-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID122122754
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name5-methyl-1-[(1-morpholin-4-yl-3-phenylpropan-2-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NC(Cc2ccccc2)CN2CCOCC2)C1
InChIInChI=1S/C21H31N3O4/c1-16-11-18(20(25)26)14-24(13-16)21(27)22-19(12-17-5-3-2-4-6-17)15-23-7-9-28-10-8-23/h2-6,16,18-19H,7-15H2,1H3,(H,22,27)(H,25,26)
InChIKeyPZVWRDSSQYSHBQ-UHFFFAOYSA-N
XLogP1.68
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-1-[(1-morpholin-4-yl-3-phenylpropan-2-yl)carbamoyl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

(2S)-2-methoxy-N-[(2R)-1-morpholin-4-yl-3-phenylpropan-2-yl]propanamide
CID 95621536
2,2-dimethyl-N-[(2R)-1-morpholin-4-yl-3-phenylpropan-2-yl]azetidine-1-carboxamide
CID 97220199
3-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]butanamide
CID 95621532
3-methyl-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)butanamide
CID 56787230
4-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)pentanamide;dihydrochloride
CID 120565520
2-(cyclopropylmethylamino)-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)acetamide
CID 119883220
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
1-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123873
5-methyl-1-(1-phenylmethoxypropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122122970
5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 122122525
3-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119883213
3-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)cyclohexane-1-carboxamide
CID 119883214

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(1-morpholin-4-yl-3-phenylpropan-2-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[(1-morpholin-4-yl-3-phenylpropan-2-yl)carbamoyl]piperidine-3-carboxylic acid (CID 122122754) is 5-methyl-1-[(1-morpholin-4-yl-3-phenylpropan-2-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[(1-morpholin-4-yl-3-phenylpropan-2-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[(1-morpholin-4-yl-3-phenylpropan-2-yl)carbamoyl]piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)NC(Cc2ccccc2)CN2CCOCC2)C1.
What is the InChIKey of 5-methyl-1-[(1-morpholin-4-yl-3-phenylpropan-2-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is PZVWRDSSQYSHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-16-11-18(20(25)26)14-24(13-16)21(27)22-19(12-17-5-3-2-4-6-17)15-23-7-9-28-10-8-23/h2-6,16,18-19H,7-15H2,1H3,(H,22,27)(H,25,26).
What are the key properties of 5-methyl-1-[(1-morpholin-4-yl-3-phenylpropan-2-yl)carbamoyl]piperidine-3-carboxylic acid?
5-methyl-1-[(1-morpholin-4-yl-3-phenylpropan-2-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 389.50 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(1-morpholin-4-yl-3-phenylpropan-2-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122122754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).