N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2,2-dimethylpropanamide

C24H31ClN2O — CID 134800295

IUPACN-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2,2-dimethylpropanamide
SMILESCc1ccc(-c2cccc(CN3CCCC(NC(=O)C(C)(C)C)C3)c2)cc1Cl
InChIInChI=1S/C24H31ClN2O/c1-17-10-11-20(14-22(17)25)19-8-5-7-18(13-19)15-27-12-6-9-21(16-27)26-23(28)24(2,3)4/h5,7-8,10-11,13-14,21H,6,9,12,15-16H2,1-4H3,(H,26,28)
InChIKeyRVGWNZAQVVHGAC-UHFFFAOYSA-N
MW398.98 g/mol
LogP5.44
Rot. Bonds4

About N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2,2-dimethylpropanamide

N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 134800295) has the molecular formula C24H31ClN2O and a molecular weight of 398.98 g/mol. Its IUPAC name is N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2,2-dimethylpropanamide
PubChem CID134800295
Molecular FormulaC24H31ClN2O
Molecular Weight398.98 g/mol
Exact Mass398.21
IUPAC NameN-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2,2-dimethylpropanamide
SMILESCc1ccc(-c2cccc(CN3CCCC(NC(=O)C(C)(C)C)C3)c2)cc1Cl
InChIInChI=1S/C24H31ClN2O/c1-17-10-11-20(14-22(17)25)19-8-5-7-18(13-19)15-27-12-6-9-21(16-27)26-23(28)24(2,3)4/h5,7-8,10-11,13-14,21H,6,9,12,15-16H2,1-4H3,(H,26,28)
InChIKeyRVGWNZAQVVHGAC-UHFFFAOYSA-N
XLogP5.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.98
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11232123
2-[(3-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4881897
2-[(3-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
CID 4883960
N-(1-benzylpiperidin-4-yl)-2-(2-chlorophenyl)acetamide
CID 10736122
1-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-(cyclohexylmethylamino)butan-1-one
CID 25195536
1-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-(ethylamino)butan-1-one
CID 25221145
1-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-(isobutylamino)butan-1-one
CID 25221148
4-(4-Isopropylbenzylamino)-1-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)butan-1-one
CID 25221265
(4R,5R)-5-amino-1-benzyl-4-(2-chlorophenyl)piperidin-2-one
CID 16203032
(E)-3-(3-chlorophenyl)-N-[2-(dimethylamino)-2-phenylethyl]prop-2-enamide
CID 5865557
N-(1-Benzyl-piperidin-4-yl)-2-(3-chloro-phenyl)-acetamide
CID 10712370
2-(S)-Amino-4-(3-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11404106

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2,2-dimethylpropanamide (CID 134800295) is N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2,2-dimethylpropanamide is Cc1ccc(-c2cccc(CN3CCCC(NC(=O)C(C)(C)C)C3)c2)cc1Cl.
What is the InChIKey of N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is RVGWNZAQVVHGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O/c1-17-10-11-20(14-22(17)25)19-8-5-7-18(13-19)15-27-12-6-9-21(16-27)26-23(28)24(2,3)4/h5,7-8,10-11,13-14,21H,6,9,12,15-16H2,1-4H3,(H,26,28).
What are the key properties of N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2,2-dimethylpropanamide?
N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 398.98 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-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 134800295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).