1-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid

C20H28N2O3 — CID 166274415

IUPAC1-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
SMILESNCC(c1ccccc1)C1CCN(C(=O)C2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C20H28N2O3/c21-14-17(15-6-2-1-3-7-15)16-8-12-22(13-9-16)18(23)20(19(24)25)10-4-5-11-20/h1-3,6-7,16-17H,4-5,8-14,21H2,(H,24,25)
InChIKeyVIXIYRBGNMMLFQ-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.61
Rot. Bonds5

About 1-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid

1-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid (PubChem CID 166274415) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
PubChem CID166274415
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name1-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
SMILESNCC(c1ccccc1)C1CCN(C(=O)C2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C20H28N2O3/c21-14-17(15-6-2-1-3-7-15)16-8-12-22(13-9-16)18(23)20(19(24)25)10-4-5-11-20/h1-3,6-7,16-17H,4-5,8-14,21H2,(H,24,25)
InChIKeyVIXIYRBGNMMLFQ-UHFFFAOYSA-N
XLogP2.61
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-cyclobutyl-2-phenylethanamine;hydrochloride
CID 155858547
2-cyclopropyl-2-phenylethanamine;hydrochloride
CID 57365234
(2R)-2-(4,4-dimethylcyclohexyl)-2-phenylethanamine
CID 121454644
1-(4-aminopiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 62097142
1-(3-phenylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 62131428
1-[3-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]phenyl]-3-methylurea
CID 166276664
1-(5-amino-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)cyclopentane-1-carboxylic acid
CID 166288104
1-(4-propylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 55050179
1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 106837028
3-phenyl-3-(1-prop-2-enoxycarbonylpiperidin-4-yl)propanoic acid
CID 167722036
2-cyclopentyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 110883117
2-phenyl-2-piperidin-4-ylethanamine;hydrochloride
CID 67691179

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid (CID 166274415) is 1-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid is NCC(c1ccccc1)C1CCN(C(=O)C2(C(=O)O)CCCC2)CC1.
What is the InChIKey of 1-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The InChIKey is VIXIYRBGNMMLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c21-14-17(15-6-2-1-3-7-15)16-8-12-22(13-9-16)18(23)20(19(24)25)10-4-5-11-20/h1-3,6-7,16-17H,4-5,8-14,21H2,(H,24,25).
What are the key properties of 1-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
1-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid has a molecular weight of 344.45 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-1-phenylethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 166274415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).