N-benzyl-N-methyl-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide

C29H33N3O2 — CID 46038156

IUPACN-benzyl-N-methyl-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccccc1N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C29H33N3O2/c1-31(22-24-12-6-3-7-13-24)29(34)26-14-8-9-15-27(26)32-20-18-25(19-21-32)30-28(33)17-16-23-10-4-2-5-11-23/h2-15,25H,16-22H2,1H3,(H,30,33)
InChIKeyHNAMNRWJBSWKMG-UHFFFAOYSA-N
MW455.60 g/mol
LogP4.68
Rot. Bonds8

About N-benzyl-N-methyl-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide

N-benzyl-N-methyl-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide (PubChem CID 46038156) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide
PubChem CID46038156
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC NameN-benzyl-N-methyl-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccccc1N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C29H33N3O2/c1-31(22-24-12-6-3-7-13-24)29(34)26-14-8-9-15-27(26)32-20-18-25(19-21-32)30-28(33)17-16-23-10-4-2-5-11-23/h2-15,25H,16-22H2,1H3,(H,30,33)
InChIKeyHNAMNRWJBSWKMG-UHFFFAOYSA-N
XLogP4.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamidopiperidin-1-yl)-N-benzyl-N-methylbenzamide
CID 46038155
N-benzyl-2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-methylbenzamide
CID 46038163
2-[4-(3-phenylpropanoylamino)piperidin-1-yl]-N-prop-2-enylbenzamide
CID 46037750
N-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-phenylpropanamide
CID 46037987
N-[(3-fluorophenyl)methyl]-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide
CID 42848180
2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083308
N-(furan-2-ylmethyl)-N-methyl-2-[4-(3-methylbutanoylamino)piperidin-1-yl]benzamide
CID 42848287
N-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738004
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide
CID 46038281
2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 46037520
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
N-(2-methoxyethyl)-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 42847988

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide?
The IUPAC name of N-benzyl-N-methyl-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide (CID 46038156) is N-benzyl-N-methyl-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide?
The canonical SMILES for N-benzyl-N-methyl-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide is CN(Cc1ccccc1)C(=O)c1ccccc1N1CCC(NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-N-methyl-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide?
The InChIKey is HNAMNRWJBSWKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-31(22-24-12-6-3-7-13-24)29(34)26-14-8-9-15-27(26)32-20-18-25(19-21-32)30-28(33)17-16-23-10-4-2-5-11-23/h2-15,25H,16-22H2,1H3,(H,30,33).
What are the key properties of N-benzyl-N-methyl-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide?
N-benzyl-N-methyl-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide has a molecular weight of 455.60 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide is sourced from PubChem (CID 46038156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).