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

C21H25N3O2 — CID 119949242

IUPACN-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide
SMILESNC(CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c22-19(16-7-3-1-4-8-16)15-20(25)24-13-11-18(12-14-24)23-21(26)17-9-5-2-6-10-17/h1-10,18-19H,11-15,22H2,(H,23,26)
InChIKeySNXCVJZDUYQZPA-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.50
Rot. Bonds5

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

N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide (PubChem CID 119949242) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide
PubChem CID119949242
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide
SMILESNC(CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c22-19(16-7-3-1-4-8-16)15-20(25)24-13-11-18(12-14-24)23-21(26)17-9-5-2-6-10-17/h1-10,18-19H,11-15,22H2,(H,23,26)
InChIKeySNXCVJZDUYQZPA-UHFFFAOYSA-N
XLogP2.50
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 119949813
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
3-amino-1-(4-benzoylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119949267
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]benzamide
CID 119698218
N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]benzamide;hydrochloride
CID 119698223
N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]benzamide;hydrochloride
CID 91641898
3-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpropanamide;hydrochloride
CID 119949354
N-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119275880
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 62941753
3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 119950959
N-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119698231
N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide
CID 34423868

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide?
The IUPAC name of N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide (CID 119949242) is N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide is NC(CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide?
The InChIKey is SNXCVJZDUYQZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c22-19(16-7-3-1-4-8-16)15-20(25)24-13-11-18(12-14-24)23-21(26)17-9-5-2-6-10-17/h1-10,18-19H,11-15,22H2,(H,23,26).
What are the key properties of N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide?
N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide has a molecular weight of 351.45 g/mol, XLogP of 2.50, 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]benzamide is sourced from PubChem (CID 119949242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).