4-[(1-acetylpiperidin-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid

C20H29N3O4 — CID 122001047

IUPAC4-[(1-acetylpiperidin-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid
SMILESCC(=O)N1CCC(CNC(=O)NC(CCC(=O)O)Cc2ccccc2)CC1
InChIInChI=1S/C20H29N3O4/c1-15(24)23-11-9-17(10-12-23)14-21-20(27)22-18(7-8-19(25)26)13-16-5-3-2-4-6-16/h2-6,17-18H,7-14H2,1H3,(H,25,26)(H2,21,22,27)
InChIKeyUFVQVUGTFFLXEQ-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.02
Rot. Bonds8

About 4-[(1-acetylpiperidin-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid

4-[(1-acetylpiperidin-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid (PubChem CID 122001047) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-[(1-acetylpiperidin-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(1-acetylpiperidin-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid
PubChem CID122001047
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name4-[(1-acetylpiperidin-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid
SMILESCC(=O)N1CCC(CNC(=O)NC(CCC(=O)O)Cc2ccccc2)CC1
InChIInChI=1S/C20H29N3O4/c1-15(24)23-11-9-17(10-12-23)14-21-20(27)22-18(7-8-19(25)26)13-16-5-3-2-4-6-16/h2-6,17-18H,7-14H2,1H3,(H,25,26)(H2,21,22,27)
InChIKeyUFVQVUGTFFLXEQ-UHFFFAOYSA-N
XLogP2.02
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-4-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid
CID 122012389
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
1-[(1-acetylpiperidin-3-yl)methyl]-3-(1-phenyl-3-pyridin-3-ylpropan-2-yl)urea
CID 154869112
5-phenyl-4-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 122027336
5-phenyl-4-[(1-propanoylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 122006817
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-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
4-[(5-carbamoyloxolan-2-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122006538
4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122007668
4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122001001
5-phenyl-4-[[4-(propylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 122027108

Frequently Asked Questions

What is the IUPAC name of 4-[(1-acetylpiperidin-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(1-acetylpiperidin-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid (CID 122001047) is 4-[(1-acetylpiperidin-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(1-acetylpiperidin-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(1-acetylpiperidin-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid is CC(=O)N1CCC(CNC(=O)NC(CCC(=O)O)Cc2ccccc2)CC1.
What is the InChIKey of 4-[(1-acetylpiperidin-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid?
The InChIKey is UFVQVUGTFFLXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-15(24)23-11-9-17(10-12-23)14-21-20(27)22-18(7-8-19(25)26)13-16-5-3-2-4-6-16/h2-6,17-18H,7-14H2,1H3,(H,25,26)(H2,21,22,27).
What are the key properties of 4-[(1-acetylpiperidin-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid?
4-[(1-acetylpiperidin-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid has a molecular weight of 375.47 g/mol, XLogP of 2.02, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-acetylpiperidin-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122001047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).