2-(4-acetamidopiperidin-1-yl)-N-benzyl-N-methylbenzamide

C22H27N3O2 — CID 46038155

IUPAC2-(4-acetamidopiperidin-1-yl)-N-benzyl-N-methylbenzamide
SMILESCC(=O)NC1CCN(c2ccccc2C(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c1-17(26)23-19-12-14-25(15-13-19)21-11-7-6-10-20(21)22(27)24(2)16-18-8-4-3-5-9-18/h3-11,19H,12-16H2,1-2H3,(H,23,26)
InChIKeyIKRQVKMAZASYEV-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.06
Rot. Bonds5

About 2-(4-acetamidopiperidin-1-yl)-N-benzyl-N-methylbenzamide

2-(4-acetamidopiperidin-1-yl)-N-benzyl-N-methylbenzamide (PubChem CID 46038155) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-(4-acetamidopiperidin-1-yl)-N-benzyl-N-methylbenzamide.

Molecular Properties

Compound Name2-(4-acetamidopiperidin-1-yl)-N-benzyl-N-methylbenzamide
PubChem CID46038155
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-(4-acetamidopiperidin-1-yl)-N-benzyl-N-methylbenzamide
SMILESCC(=O)NC1CCN(c2ccccc2C(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c1-17(26)23-19-12-14-25(15-13-19)21-11-7-6-10-20(21)22(27)24(2)16-18-8-4-3-5-9-18/h3-11,19H,12-16H2,1-2H3,(H,23,26)
InChIKeyIKRQVKMAZASYEV-UHFFFAOYSA-N
XLogP3.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide
CID 46038156
N-benzyl-2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-methylbenzamide
CID 46038163
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide
CID 46038281
N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide
CID 46038514
N-(furan-2-ylmethyl)-N-methyl-2-[4-(3-methylbutanoylamino)piperidin-1-yl]benzamide
CID 42848287
N-[1-[2-[benzyl(ethyl)carbamoyl]phenyl]piperidin-4-yl]-2,4-dichlorobenzamide
CID 42848423
N-ethyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide
CID 46038653
N-[1-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]acetamide
CID 42848348
N-[1-[2-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]acetamide
CID 93291094
2-(4-acetamidopiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 46037624
2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 46037520
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidopiperidin-1-yl)-N-benzyl-N-methylbenzamide?
The IUPAC name of 2-(4-acetamidopiperidin-1-yl)-N-benzyl-N-methylbenzamide (CID 46038155) is 2-(4-acetamidopiperidin-1-yl)-N-benzyl-N-methylbenzamide.
What is the SMILES notation for 2-(4-acetamidopiperidin-1-yl)-N-benzyl-N-methylbenzamide?
The canonical SMILES for 2-(4-acetamidopiperidin-1-yl)-N-benzyl-N-methylbenzamide is CC(=O)NC1CCN(c2ccccc2C(=O)N(C)Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-acetamidopiperidin-1-yl)-N-benzyl-N-methylbenzamide?
The InChIKey is IKRQVKMAZASYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17(26)23-19-12-14-25(15-13-19)21-11-7-6-10-20(21)22(27)24(2)16-18-8-4-3-5-9-18/h3-11,19H,12-16H2,1-2H3,(H,23,26).
What are the key properties of 2-(4-acetamidopiperidin-1-yl)-N-benzyl-N-methylbenzamide?
2-(4-acetamidopiperidin-1-yl)-N-benzyl-N-methylbenzamide has a molecular weight of 365.48 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidopiperidin-1-yl)-N-benzyl-N-methylbenzamide is sourced from PubChem (CID 46038155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).