4-[(1-benzylpiperidin-4-yl)amino]-5-phenylpentanoic acid

C23H30N2O2 — CID 122046074

IUPAC4-[(1-benzylpiperidin-4-yl)amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H30N2O2/c26-23(27)12-11-22(17-19-7-3-1-4-8-19)24-21-13-15-25(16-14-21)18-20-9-5-2-6-10-20/h1-10,21-22,24H,11-18H2,(H,26,27)
InChIKeyBBMGFJIRKOXWBY-UHFFFAOYSA-N
MW366.50 g/mol
LogP3.72
Rot. Bonds9

About 4-[(1-benzylpiperidin-4-yl)amino]-5-phenylpentanoic acid

4-[(1-benzylpiperidin-4-yl)amino]-5-phenylpentanoic acid (PubChem CID 122046074) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is 4-[(1-benzylpiperidin-4-yl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(1-benzylpiperidin-4-yl)amino]-5-phenylpentanoic acid
PubChem CID122046074
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name4-[(1-benzylpiperidin-4-yl)amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H30N2O2/c26-23(27)12-11-22(17-19-7-3-1-4-8-19)24-21-13-15-25(16-14-21)18-20-9-5-2-6-10-20/h1-10,21-22,24H,11-18H2,(H,26,27)
InChIKeyBBMGFJIRKOXWBY-UHFFFAOYSA-N
XLogP3.72
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclooctylamino)-5-phenylpentanoic acid
CID 122046085
1-(1-benzylpiperidin-4-yl)-3-(1-phenyl-3-sulfanylpropan-2-yl)urea
CID 22905498
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
tert-butyl (2S)-2-[(1-benzylpiperidin-4-yl)amino]-3-phenylpropanoate
CID 14997630
[(1-benzylpiperidin-4-yl)amino]carbamic acid
CID 68925695
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
4-(2,3-dihydro-1H-inden-1-ylamino)-5-phenylpentanoic acid
CID 122045757
5-phenyl-4-[(1-propanoylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 122006817
2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol
CID 43499736
1-benzyl-N-pentan-3-ylpyrrolidin-3-amine
CID 43150638
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119831669

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzylpiperidin-4-yl)amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(1-benzylpiperidin-4-yl)amino]-5-phenylpentanoic acid (CID 122046074) is 4-[(1-benzylpiperidin-4-yl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(1-benzylpiperidin-4-yl)amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(1-benzylpiperidin-4-yl)amino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-[(1-benzylpiperidin-4-yl)amino]-5-phenylpentanoic acid?
The InChIKey is BBMGFJIRKOXWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c26-23(27)12-11-22(17-19-7-3-1-4-8-19)24-21-13-15-25(16-14-21)18-20-9-5-2-6-10-20/h1-10,21-22,24H,11-18H2,(H,26,27).
What are the key properties of 4-[(1-benzylpiperidin-4-yl)amino]-5-phenylpentanoic acid?
4-[(1-benzylpiperidin-4-yl)amino]-5-phenylpentanoic acid has a molecular weight of 366.50 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylpiperidin-4-yl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122046074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).