N-[(3-chlorophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide

C15H22ClN3O — CID 104975494

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)N(C)Cc2cccc(Cl)c2)CCN1
InChIInChI=1S/C15H22ClN3O/c1-12-9-19(7-6-17-12)11-15(20)18(2)10-13-4-3-5-14(16)8-13/h3-5,8,12,17H,6-7,9-11H2,1-2H3/t12-/m1/s1
InChIKeyXDIZIPAJHYPXKU-GFCCVEGCSA-N
MW295.81 g/mol
LogP1.59
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide

N-[(3-chlorophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide (PubChem CID 104975494) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
PubChem CID104975494
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)N(C)Cc2cccc(Cl)c2)CCN1
InChIInChI=1S/C15H22ClN3O/c1-12-9-19(7-6-17-12)11-15(20)18(2)10-13-4-3-5-14(16)8-13/h3-5,8,12,17H,6-7,9-11H2,1-2H3/t12-/m1/s1
InChIKeyXDIZIPAJHYPXKU-GFCCVEGCSA-N
XLogP1.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-methylacetamide
CID 95326255
N-(3-chlorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976986
N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65449046
N-[(2-bromophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975216
N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924663
1-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324059
(2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120617586
N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 42921673
N-[(3-chlorophenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide
CID 62210205
N-benzyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
CID 63873691
(2R)-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93367542
2-(3-aminobutylsulfanyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 66232590

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide (CID 104975494) is N-[(3-chlorophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide is C[C@@H]1CN(CC(=O)N(C)Cc2cccc(Cl)c2)CCN1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
The InChIKey is XDIZIPAJHYPXKU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-12-9-19(7-6-17-12)11-15(20)18(2)10-13-4-3-5-14(16)8-13/h3-5,8,12,17H,6-7,9-11H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
N-[(3-chlorophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide has a molecular weight of 295.81 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 104975494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).