N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide

C21H26ClN3O — CID 77090509

IUPACN-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide
SMILESCN(CC(=O)NC(c1ccccc1)c1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C21H26ClN3O/c1-25(19-11-13-23-14-12-19)15-20(26)24-21(16-5-3-2-4-6-16)17-7-9-18(22)10-8-17/h2-10,19,21,23H,11-15H2,1H3,(H,24,26)
InChIKeyOFVLHXGAGUCSOX-UHFFFAOYSA-N
MW371.91 g/mol
LogP3.23
Rot. Bonds6

About N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide

N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide (PubChem CID 77090509) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide
PubChem CID77090509
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC NameN-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide
SMILESCN(CC(=O)NC(c1ccccc1)c1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C21H26ClN3O/c1-25(19-11-13-23-14-12-19)15-20(26)24-21(16-5-3-2-4-6-16)17-7-9-18(22)10-8-17/h2-10,19,21,23H,11-15H2,1H3,(H,24,26)
InChIKeyOFVLHXGAGUCSOX-UHFFFAOYSA-N
XLogP3.23
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Uamc00039
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1-[Bis(4-chlorophenyl)methyl]piperazine
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Norchlorcyclizine, (-)-
CID 668697
1-(2-(2-Chlorophenyl)-1-phenylethyl)piperazine
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1-(2-(3-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414720
1-(1-Benzyl-piperidin-4-yl)-4-(4-chloro-phenyl)-5-methyl-1,3-dihydro-imidazol-2-one
CID 10643588
2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11232123
4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-cyclohexylpiperazine-1-carboxamide
CID 44176908

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide?
The IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide (CID 77090509) is N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide is CN(CC(=O)NC(c1ccccc1)c1ccc(Cl)cc1)C1CCNCC1.
What is the InChIKey of N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide?
The InChIKey is OFVLHXGAGUCSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-25(19-11-13-23-14-12-19)15-20(26)24-21(16-5-3-2-4-6-16)17-7-9-18(22)10-8-17/h2-10,19,21,23H,11-15H2,1H3,(H,24,26).
What are the key properties of N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide?
N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide has a molecular weight of 371.91 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide is sourced from PubChem (CID 77090509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).