1-benzyl-4-[2-[(1S,2S)-2-phenylcyclopropyl]ethyl]piperidine-4-carboxylic acid

C24H29NO2 — CID 149380196

IUPAC1-benzyl-4-[2-[(1S,2S)-2-phenylcyclopropyl]ethyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1(CC[C@H]2C[C@@H]2c2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H29NO2/c26-23(27)24(12-11-21-17-22(21)20-9-5-2-6-10-20)13-15-25(16-14-24)18-19-7-3-1-4-8-19/h1-10,21-22H,11-18H2,(H,26,27)/t21-,22+/m0/s1
InChIKeyYLMMRQYQHPRSCX-FCHUYYIVSA-N
MW363.50 g/mol
LogP4.94
Rot. Bonds7

About 1-benzyl-4-[2-[(1S,2S)-2-phenylcyclopropyl]ethyl]piperidine-4-carboxylic acid

1-benzyl-4-[2-[(1S,2S)-2-phenylcyclopropyl]ethyl]piperidine-4-carboxylic acid (PubChem CID 149380196) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-benzyl-4-[2-[(1S,2S)-2-phenylcyclopropyl]ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-4-[2-[(1S,2S)-2-phenylcyclopropyl]ethyl]piperidine-4-carboxylic acid
PubChem CID149380196
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name1-benzyl-4-[2-[(1S,2S)-2-phenylcyclopropyl]ethyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1(CC[C@H]2C[C@@H]2c2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H29NO2/c26-23(27)24(12-11-21-17-22(21)20-9-5-2-6-10-20)13-15-25(16-14-24)18-19-7-3-1-4-8-19/h1-10,21-22H,11-18H2,(H,26,27)/t21-,22+/m0/s1
InChIKeyYLMMRQYQHPRSCX-FCHUYYIVSA-N
XLogP4.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-4-[2-[(1S,2S)-2-phenylcyclopropyl]ethyl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid
CID 34180361
1-[[4-[(3-fluorophenoxy)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 160617512
1-benzyl-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine
CID 173472767
1-benzyl-3-(fluoromethyl)pyrrolidine-3-carboxylic acid
CID 19691457
3-[[1-(cyclopropylmethyl)-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-4-yl]methyl]benzoic acid
CID 160736107
1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 65065108
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid
CID 124603501
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
2-bromo-1-(1,4-dibenzylpiperidin-4-yl)ethanone bromide
CID 19705341
3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid
CID 66322768
1-[(3S,4S)-1-benzyl-4-hydroxy-4-methylpiperidin-3-yl]ethanone
CID 54122548

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-[(1S,2S)-2-phenylcyclopropyl]ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-benzyl-4-[2-[(1S,2S)-2-phenylcyclopropyl]ethyl]piperidine-4-carboxylic acid (CID 149380196) is 1-benzyl-4-[2-[(1S,2S)-2-phenylcyclopropyl]ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-benzyl-4-[2-[(1S,2S)-2-phenylcyclopropyl]ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-benzyl-4-[2-[(1S,2S)-2-phenylcyclopropyl]ethyl]piperidine-4-carboxylic acid is O=C(O)C1(CC[C@H]2C[C@@H]2c2ccccc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[2-[(1S,2S)-2-phenylcyclopropyl]ethyl]piperidine-4-carboxylic acid?
The InChIKey is YLMMRQYQHPRSCX-FCHUYYIVSA-N. The full InChI is InChI=1S/C24H29NO2/c26-23(27)24(12-11-21-17-22(21)20-9-5-2-6-10-20)13-15-25(16-14-24)18-19-7-3-1-4-8-19/h1-10,21-22H,11-18H2,(H,26,27)/t21-,22+/m0/s1.
What are the key properties of 1-benzyl-4-[2-[(1S,2S)-2-phenylcyclopropyl]ethyl]piperidine-4-carboxylic acid?
1-benzyl-4-[2-[(1S,2S)-2-phenylcyclopropyl]ethyl]piperidine-4-carboxylic acid has a molecular weight of 363.50 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-[(1S,2S)-2-phenylcyclopropyl]ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 149380196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).