2-benzyl-3-[[(1R)-1-naphthalen-1-ylethyl]amino]piperidine-1-carboxylic acid

C25H28N2O2 — CID 67409796

IUPAC2-benzyl-3-[[(1R)-1-naphthalen-1-ylethyl]amino]piperidine-1-carboxylic acid
SMILESC[C@@H](NC1CCCN(C(=O)O)C1Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C25H28N2O2/c1-18(21-14-7-12-20-11-5-6-13-22(20)21)26-23-15-8-16-27(25(28)29)24(23)17-19-9-3-2-4-10-19/h2-7,9-14,18,23-24,26H,8,15-17H2,1H3,(H,28,29)/t18-,23?,24?/m1/s1
InChIKeyAMNXSNLWDNNQGF-WZFBRQLOSA-N
MW388.51 g/mol
LogP5.24
Rot. Bonds5

About 2-benzyl-3-[[(1R)-1-naphthalen-1-ylethyl]amino]piperidine-1-carboxylic acid

2-benzyl-3-[[(1R)-1-naphthalen-1-ylethyl]amino]piperidine-1-carboxylic acid (PubChem CID 67409796) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-benzyl-3-[[(1R)-1-naphthalen-1-ylethyl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-benzyl-3-[[(1R)-1-naphthalen-1-ylethyl]amino]piperidine-1-carboxylic acid
PubChem CID67409796
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name2-benzyl-3-[[(1R)-1-naphthalen-1-ylethyl]amino]piperidine-1-carboxylic acid
SMILESC[C@@H](NC1CCCN(C(=O)O)C1Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C25H28N2O2/c1-18(21-14-7-12-20-11-5-6-13-22(20)21)26-23-15-8-16-27(25(28)29)24(23)17-19-9-3-2-4-10-19/h2-7,9-14,18,23-24,26H,8,15-17H2,1H3,(H,28,29)/t18-,23?,24?/m1/s1
InChIKeyAMNXSNLWDNNQGF-WZFBRQLOSA-N
XLogP5.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-naphthalen-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 15920376
2-[4-[2-(1-naphthalen-1-ylethylamino)pyrrolidin-1-yl]phenyl]acetic acid;hydrobromide
CID 121468318
[2-(1-naphthalen-1-ylethylamino)cyclohexyl]methanol
CID 103729780
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
3-ethoxy-N-(1-naphthalen-1-ylethyl)piperidine-1-carboxamide
CID 47754586
tert-butyl (2R)-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 35704649
2-[(3S)-3-methylpiperidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 51730374
(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidine-1,2-dicarboxamide
CID 143615138
N-(1-naphthalen-1-ylethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 47004895
4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid
CID 68781148
4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]benzoic acid
CID 59617339
molecular hydrogen;N-[(1R)-1-naphthalen-1-ylethyl]cyclohexanamine
CID 143807841

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[[(1R)-1-naphthalen-1-ylethyl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 2-benzyl-3-[[(1R)-1-naphthalen-1-ylethyl]amino]piperidine-1-carboxylic acid (CID 67409796) is 2-benzyl-3-[[(1R)-1-naphthalen-1-ylethyl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-benzyl-3-[[(1R)-1-naphthalen-1-ylethyl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 2-benzyl-3-[[(1R)-1-naphthalen-1-ylethyl]amino]piperidine-1-carboxylic acid is C[C@@H](NC1CCCN(C(=O)O)C1Cc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 2-benzyl-3-[[(1R)-1-naphthalen-1-ylethyl]amino]piperidine-1-carboxylic acid?
The InChIKey is AMNXSNLWDNNQGF-WZFBRQLOSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-18(21-14-7-12-20-11-5-6-13-22(20)21)26-23-15-8-16-27(25(28)29)24(23)17-19-9-3-2-4-10-19/h2-7,9-14,18,23-24,26H,8,15-17H2,1H3,(H,28,29)/t18-,23?,24?/m1/s1.
What are the key properties of 2-benzyl-3-[[(1R)-1-naphthalen-1-ylethyl]amino]piperidine-1-carboxylic acid?
2-benzyl-3-[[(1R)-1-naphthalen-1-ylethyl]amino]piperidine-1-carboxylic acid has a molecular weight of 388.51 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[[(1R)-1-naphthalen-1-ylethyl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 67409796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).