N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-propan-2-ylbenzamide

C22H28N2O — CID 26018303

IUPACN-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1
InChIInChI=1S/C22H28N2O/c1-16(2)18-7-9-19(10-8-18)22(25)23-20-11-13-21(14-12-20)24-15-5-4-6-17(24)3/h7-14,16-17H,4-6,15H2,1-3H3,(H,23,25)/t17-/m1/s1
InChIKeyWWCZZEPQJSQRCK-QGZVFWFLSA-N
MW336.48 g/mol
LogP5.44
Rot. Bonds4

About N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-propan-2-ylbenzamide

N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-propan-2-ylbenzamide (PubChem CID 26018303) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-propan-2-ylbenzamide
PubChem CID26018303
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1
InChIInChI=1S/C22H28N2O/c1-16(2)18-7-9-19(10-8-18)22(25)23-20-11-13-21(14-12-20)24-15-5-4-6-17(24)3/h7-14,16-17H,4-6,15H2,1-3H3,(H,23,25)/t17-/m1/s1
InChIKeyWWCZZEPQJSQRCK-QGZVFWFLSA-N
XLogP5.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]naphthalene-2-carboxamide
CID 40922093
3,4-dimethyl-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide
CID 17102832
4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960697
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
4-(cyclopropanecarbonylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 26288890
4-iodo-N-[[4-(2-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide
CID 17116461
3-methyl-N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-nitrobenzamide
CID 40922070
1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109044795
1-[4-(2-methylpiperidin-1-yl)phenyl]ethanone
CID 43176941
2-chloro-N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]pyridine-3-carboxamide
CID 40922123
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-propan-2-ylbenzamide
CID 110369681
2-[(2S)-2-methylpiperidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 8583231

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-propan-2-ylbenzamide (CID 26018303) is N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1.
What is the InChIKey of N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-propan-2-ylbenzamide?
The InChIKey is WWCZZEPQJSQRCK-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H28N2O/c1-16(2)18-7-9-19(10-8-18)22(25)23-20-11-13-21(14-12-20)24-15-5-4-6-17(24)3/h7-14,16-17H,4-6,15H2,1-3H3,(H,23,25)/t17-/m1/s1.
What are the key properties of N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-propan-2-ylbenzamide?
N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-propan-2-ylbenzamide has a molecular weight of 336.48 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 26018303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).