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

C23H29N3O2 — CID 119721458

IUPACN-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)C(C)C(N)c2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c1-16-8-6-7-11-20(16)22(27)25-19-12-14-26(15-13-19)23(28)17(2)21(24)18-9-4-3-5-10-18/h3-11,17,19,21H,12-15,24H2,1-2H3,(H,25,27)
InChIKeyBSBAYNVFKAFCEC-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.05
Rot. Bonds5

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

N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide (PubChem CID 119721458) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide
PubChem CID119721458
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)C(C)C(N)c2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c1-16-8-6-7-11-20(16)22(27)25-19-12-14-26(15-13-19)23(28)17(2)21(24)18-9-4-3-5-10-18/h3-11,17,19,21H,12-15,24H2,1-2H3,(H,25,27)
InChIKeyBSBAYNVFKAFCEC-UHFFFAOYSA-N
XLogP3.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylfuran-3-carboxamide;hydrochloride
CID 119771791
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 119721491
N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 119949813
N-[1-(2-aminopentanoyl)piperidin-4-yl]-2-methylbenzamide
CID 119288350
N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide
CID 120985992
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
2-methyl-N-[1-[2-(3-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 55796186
2-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108557669
2-methyl-N-[1-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]piperidin-4-yl]benzamide
CID 55689247
N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 61213391
2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557648

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide (CID 119721458) is N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(C(=O)C(C)C(N)c2ccccc2)CC1.
What is the InChIKey of N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide?
The InChIKey is BSBAYNVFKAFCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16-8-6-7-11-20(16)22(27)25-19-12-14-26(15-13-19)23(28)17(2)21(24)18-9-4-3-5-10-18/h3-11,17,19,21H,12-15,24H2,1-2H3,(H,25,27).
What are the key properties of N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide?
N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide has a molecular weight of 379.50 g/mol, XLogP of 3.05, 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-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 119721458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).