2-[2-acetamidoethyl-(4-benzylpiperidine-1-carbonyl)amino]propanoic acid

C20H29N3O4 — CID 120602765

IUPAC2-[2-acetamidoethyl-(4-benzylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC(=O)NCCN(C(=O)N1CCC(Cc2ccccc2)CC1)C(C)C(=O)O
InChIInChI=1S/C20H29N3O4/c1-15(19(25)26)23(13-10-21-16(2)24)20(27)22-11-8-18(9-12-22)14-17-6-4-3-5-7-17/h3-7,15,18H,8-14H2,1-2H3,(H,21,24)(H,25,26)
InChIKeyDDZTYNHAZOJQAC-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.97
Rot. Bonds7

About 2-[2-acetamidoethyl-(4-benzylpiperidine-1-carbonyl)amino]propanoic acid

2-[2-acetamidoethyl-(4-benzylpiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 120602765) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[2-acetamidoethyl-(4-benzylpiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[2-acetamidoethyl-(4-benzylpiperidine-1-carbonyl)amino]propanoic acid
PubChem CID120602765
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name2-[2-acetamidoethyl-(4-benzylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC(=O)NCCN(C(=O)N1CCC(Cc2ccccc2)CC1)C(C)C(=O)O
InChIInChI=1S/C20H29N3O4/c1-15(19(25)26)23(13-10-21-16(2)24)20(27)22-11-8-18(9-12-22)14-17-6-4-3-5-7-17/h3-7,15,18H,8-14H2,1-2H3,(H,21,24)(H,25,26)
InChIKeyDDZTYNHAZOJQAC-UHFFFAOYSA-N
XLogP1.97
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-acetamidoethyl-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 122120629
N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide
CID 78780530
N-benzyl-2-(4-benzylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide
CID 108503370
N-[2-[[C-(3-benzylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-2-methylpropanamide
CID 111724827
N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 119383721
3-(4-benzylpiperidin-1-yl)-2-methylpropanoic acid
CID 43538761
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide
CID 113118967
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
N-[2-[[(Z)-3-(4-benzylpiperidin-1-yl)-2-cyano-3-oxoprop-1-enyl]amino]ethyl]acetamide
CID 108838268
1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79196158
3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide
CID 108940852
1-[4-[[4-(1-phenylpropan-2-ylamino)phenyl]methyl]piperidin-1-yl]ethanone
CID 19390855

Frequently Asked Questions

What is the IUPAC name of 2-[2-acetamidoethyl-(4-benzylpiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[2-acetamidoethyl-(4-benzylpiperidine-1-carbonyl)amino]propanoic acid (CID 120602765) is 2-[2-acetamidoethyl-(4-benzylpiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[2-acetamidoethyl-(4-benzylpiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[2-acetamidoethyl-(4-benzylpiperidine-1-carbonyl)amino]propanoic acid is CC(=O)NCCN(C(=O)N1CCC(Cc2ccccc2)CC1)C(C)C(=O)O.
What is the InChIKey of 2-[2-acetamidoethyl-(4-benzylpiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is DDZTYNHAZOJQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-15(19(25)26)23(13-10-21-16(2)24)20(27)22-11-8-18(9-12-22)14-17-6-4-3-5-7-17/h3-7,15,18H,8-14H2,1-2H3,(H,21,24)(H,25,26).
What are the key properties of 2-[2-acetamidoethyl-(4-benzylpiperidine-1-carbonyl)amino]propanoic acid?
2-[2-acetamidoethyl-(4-benzylpiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 375.47 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetamidoethyl-(4-benzylpiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120602765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).