2-[cyclopropyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid

C19H25N3O4 — CID 119202408

IUPAC2-[cyclopropyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)C1CCCN(C(=O)Nc2ccccc2)C1)C1CC1
InChIInChI=1S/C19H25N3O4/c1-13(18(24)25)22(16-9-10-16)17(23)14-6-5-11-21(12-14)19(26)20-15-7-3-2-4-8-15/h2-4,7-8,13-14,16H,5-6,9-12H2,1H3,(H,20,26)(H,24,25)
InChIKeyPYIFYZJOWZSDDI-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.39
Rot. Bonds5

About 2-[cyclopropyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid

2-[cyclopropyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid (PubChem CID 119202408) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[cyclopropyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
PubChem CID119202408
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2-[cyclopropyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)C1CCCN(C(=O)Nc2ccccc2)C1)C1CC1
InChIInChI=1S/C19H25N3O4/c1-13(18(24)25)22(16-9-10-16)17(23)14-6-5-11-21(12-14)19(26)20-15-7-3-2-4-8-15/h2-4,7-8,13-14,16H,5-6,9-12H2,1H3,(H,20,26)(H,24,25)
InChIKeyPYIFYZJOWZSDDI-UHFFFAOYSA-N
XLogP2.39
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
3-N-methyl-3-N-[2-(2-methylpropanoylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 75396728
3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24659153
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119223360
propan-2-yl 4-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate
CID 24503608
3-N-[2-(diethylamino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 51328766
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
(3S)-1-N-[4-[[(3S)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 40620948
(3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 8962325
3-N-benzyl-3-N-cyclopropyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55820118

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid (CID 119202408) is 2-[cyclopropyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid is CC(C(=O)O)N(C(=O)C1CCCN(C(=O)Nc2ccccc2)C1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid?
The InChIKey is PYIFYZJOWZSDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-13(18(24)25)22(16-9-10-16)17(23)14-6-5-11-21(12-14)19(26)20-15-7-3-2-4-8-15/h2-4,7-8,13-14,16H,5-6,9-12H2,1H3,(H,20,26)(H,24,25).
What are the key properties of 2-[cyclopropyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid?
2-[cyclopropyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid has a molecular weight of 359.43 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119202408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).