N-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide;hydrochloride

C21H26ClN3O2 — CID 119275880

IUPACN-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide;hydrochloride
SMILESCl.NC(Cc1ccccc1)C(=O)N1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C21H25N3O2.ClH/c22-19(15-16-7-3-1-4-8-16)21(26)24-13-11-18(12-14-24)23-20(25)17-9-5-2-6-10-17;/h1-10,18-19H,11-15,22H2,(H,23,25);1H
InChIKeyFDXLIJAVMOGRET-UHFFFAOYSA-N
MW387.91 g/mol
LogP2.40
Rot. Bonds5

About N-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide;hydrochloride

N-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide;hydrochloride (PubChem CID 119275880) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide;hydrochloride
PubChem CID119275880
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide;hydrochloride
SMILESCl.NC(Cc1ccccc1)C(=O)N1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C21H25N3O2.ClH/c22-19(15-16-7-3-1-4-8-16)21(26)24-13-11-18(12-14-24)23-20(25)17-9-5-2-6-10-17;/h1-10,18-19H,11-15,22H2,(H,23,25);1H
InChIKeyFDXLIJAVMOGRET-UHFFFAOYSA-N
XLogP2.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 119278106
(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406
2-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119839037
(2S)-2-amino-1-(4-ethenylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119323399
1-(2-amino-3-phenylpropanoyl)-N-phenylpiperidine-4-carboxamide;hydrochloride
CID 119272890
4-[(2-amino-3-phenylpropanoyl)amino]-N-cyclopropylbenzamide;hydrochloride
CID 119276041
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310
N-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 119329196
1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonitrile
CID 57253914
2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119276181
2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 60962563
N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]benzamide;hydrochloride
CID 91641898

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide;hydrochloride?
The IUPAC name of N-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide;hydrochloride (CID 119275880) is N-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide;hydrochloride.
What is the SMILES notation for N-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide;hydrochloride?
The canonical SMILES for N-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide;hydrochloride is Cl.NC(Cc1ccccc1)C(=O)N1CCC(NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide;hydrochloride?
The InChIKey is FDXLIJAVMOGRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.ClH/c22-19(15-16-7-3-1-4-8-16)21(26)24-13-11-18(12-14-24)23-20(25)17-9-5-2-6-10-17;/h1-10,18-19H,11-15,22H2,(H,23,25);1H.
What are the key properties of N-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide;hydrochloride?
N-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide;hydrochloride is sourced from PubChem (CID 119275880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).