5-phenyl-4-[[4-(propylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid

C21H31N3O4 — CID 122027108

IUPAC5-phenyl-4-[[4-(propylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
SMILESCCCNC(=O)C1CCN(C(=O)NC(CCC(=O)O)Cc2ccccc2)CC1
InChIInChI=1S/C21H31N3O4/c1-2-12-22-20(27)17-10-13-24(14-11-17)21(28)23-18(8-9-19(25)26)15-16-6-4-3-5-7-16/h3-7,17-18H,2,8-15H2,1H3,(H,22,27)(H,23,28)(H,25,26)
InChIKeyIWPHOGXLQFGMHD-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.41
Rot. Bonds9

About 5-phenyl-4-[[4-(propylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid

5-phenyl-4-[[4-(propylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid (PubChem CID 122027108) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-phenyl-4-[[4-(propylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-phenyl-4-[[4-(propylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
PubChem CID122027108
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name5-phenyl-4-[[4-(propylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
SMILESCCCNC(=O)C1CCN(C(=O)NC(CCC(=O)O)Cc2ccccc2)CC1
InChIInChI=1S/C21H31N3O4/c1-2-12-22-20(27)17-10-13-24(14-11-17)21(28)23-18(8-9-19(25)26)15-16-6-4-3-5-7-16/h3-7,17-18H,2,8-15H2,1H3,(H,22,27)(H,23,28)(H,25,26)
InChIKeyIWPHOGXLQFGMHD-UHFFFAOYSA-N
XLogP2.41
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
4-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028159
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
4-[(7-methyl-1,4-thiazepane-4-carbonyl)amino]-5-phenylpentanoic acid
CID 122027990
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
4-[[4-(oxolan-2-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028037
5-phenyl-4-[(2-propylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122028242
5-phenyl-4-[[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]amino]pentanoic acid
CID 122028199
4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027266
4-[(4,4-difluoro-3-methylpiperidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027602
4-[(1-butanoylpiperidine-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120547104
5-phenyl-4-[[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]amino]pentanoic acid
CID 122028325

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-[[4-(propylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid?
The IUPAC name of 5-phenyl-4-[[4-(propylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid (CID 122027108) is 5-phenyl-4-[[4-(propylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 5-phenyl-4-[[4-(propylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid?
The canonical SMILES for 5-phenyl-4-[[4-(propylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid is CCCNC(=O)C1CCN(C(=O)NC(CCC(=O)O)Cc2ccccc2)CC1.
What is the InChIKey of 5-phenyl-4-[[4-(propylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid?
The InChIKey is IWPHOGXLQFGMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-2-12-22-20(27)17-10-13-24(14-11-17)21(28)23-18(8-9-19(25)26)15-16-6-4-3-5-7-16/h3-7,17-18H,2,8-15H2,1H3,(H,22,27)(H,23,28)(H,25,26).
What are the key properties of 5-phenyl-4-[[4-(propylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid?
5-phenyl-4-[[4-(propylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid has a molecular weight of 389.50 g/mol, XLogP of 2.41, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-[[4-(propylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 122027108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).