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

C22H28ClN3O2 — CID 119949813

IUPACN-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)CC(N)c2ccccc2)CC1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-16-7-5-6-10-19(16)22(27)24-18-11-13-25(14-12-18)21(26)15-20(23)17-8-3-2-4-9-17;/h2-10,18,20H,11-15,23H2,1H3,(H,24,27);1H
InChIKeyUFQGBLNOUPZXNW-UHFFFAOYSA-N
MW401.94 g/mol
LogP3.23
Rot. Bonds5

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

N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride (PubChem CID 119949813) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride
PubChem CID119949813
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC NameN-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)CC(N)c2ccccc2)CC1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-16-7-5-6-10-19(16)22(27)24-18-11-13-25(14-12-18)21(26)15-20(23)17-8-3-2-4-9-17;/h2-10,18,20H,11-15,23H2,1H3,(H,24,27);1H
InChIKeyUFQGBLNOUPZXNW-UHFFFAOYSA-N
XLogP3.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide
CID 119949242
N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide
CID 119721458
N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide
CID 120985992
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 119721491
N-[1-(2-aminopentanoyl)piperidin-4-yl]-2-methylbenzamide
CID 119288350
2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 39512486
1-[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909657
5-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 120626448
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
2-[4-[(2-methylbenzoyl)amino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119180811
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride?
The IUPAC name of N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride (CID 119949813) is N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride.
What is the SMILES notation for N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride?
The canonical SMILES for N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride is Cc1ccccc1C(=O)NC1CCN(C(=O)CC(N)c2ccccc2)CC1.Cl.
What is the InChIKey of N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride?
The InChIKey is UFQGBLNOUPZXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.ClH/c1-16-7-5-6-10-19(16)22(27)24-18-11-13-25(14-12-18)21(26)15-20(23)17-8-3-2-4-9-17;/h2-10,18,20H,11-15,23H2,1H3,(H,24,27);1H.
What are the key properties of N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride?
N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride has a molecular weight of 401.94 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 119949813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).