N-benzhydryl-2-[(3R)-3-methylpiperidin-1-yl]acetamide

C21H26N2O — CID 2681889

IUPACN-benzhydryl-2-[(3R)-3-methylpiperidin-1-yl]acetamide
SMILESC[C@@H]1CCCN(CC(=O)NC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H26N2O/c1-17-9-8-14-23(15-17)16-20(24)22-21(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,17,21H,8-9,14-16H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyFXLKDKLLSAGXGV-QGZVFWFLSA-N
MW322.45 g/mol
LogP3.62
Rot. Bonds5

About N-benzhydryl-2-[(3R)-3-methylpiperidin-1-yl]acetamide

N-benzhydryl-2-[(3R)-3-methylpiperidin-1-yl]acetamide (PubChem CID 2681889) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-benzhydryl-2-[(3R)-3-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[(3R)-3-methylpiperidin-1-yl]acetamide
PubChem CID2681889
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-benzhydryl-2-[(3R)-3-methylpiperidin-1-yl]acetamide
SMILESC[C@@H]1CCCN(CC(=O)NC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H26N2O/c1-17-9-8-14-23(15-17)16-20(24)22-21(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,17,21H,8-9,14-16H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyFXLKDKLLSAGXGV-QGZVFWFLSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 117068368
2-[(3S)-3-methylpiperidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 51730374
N-[2,6-di(propan-2-yl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 2682066
N-(2,6-diethylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 22197765
2-[3-(3-methylpiperidin-1-yl)propanoylamino]-2-phenylacetic acid
CID 53215856
2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone
CID 82051048
2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 22197766
N-[1-(3,4-dimethylphenyl)ethyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 46445351
N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 8558327
N-[(2R)-1-hydroxypropan-2-yl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 170258612
N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681799
N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 108996675

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[(3R)-3-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-benzhydryl-2-[(3R)-3-methylpiperidin-1-yl]acetamide (CID 2681889) is N-benzhydryl-2-[(3R)-3-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-benzhydryl-2-[(3R)-3-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-benzhydryl-2-[(3R)-3-methylpiperidin-1-yl]acetamide is C[C@@H]1CCCN(CC(=O)NC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of N-benzhydryl-2-[(3R)-3-methylpiperidin-1-yl]acetamide?
The InChIKey is FXLKDKLLSAGXGV-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2O/c1-17-9-8-14-23(15-17)16-20(24)22-21(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,17,21H,8-9,14-16H2,1H3,(H,22,24)/t17-/m1/s1.
What are the key properties of N-benzhydryl-2-[(3R)-3-methylpiperidin-1-yl]acetamide?
N-benzhydryl-2-[(3R)-3-methylpiperidin-1-yl]acetamide has a molecular weight of 322.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[(3R)-3-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 2681889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).