2-[1-[(4-chlorophenyl)methyl]-4-methylpiperazin-2-yl]acetamide

C14H20ClN3O — CID 69355303

IUPAC2-[1-[(4-chlorophenyl)methyl]-4-methylpiperazin-2-yl]acetamide
SMILESCN1CCN(Cc2ccc(Cl)cc2)C(CC(N)=O)C1
InChIInChI=1S/C14H20ClN3O/c1-17-6-7-18(13(10-17)8-14(16)19)9-11-2-4-12(15)5-3-11/h2-5,13H,6-10H2,1H3,(H2,16,19)
InChIKeyHHFKVPCXRCERER-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.33
Rot. Bonds4

About 2-[1-[(4-chlorophenyl)methyl]-4-methylpiperazin-2-yl]acetamide

2-[1-[(4-chlorophenyl)methyl]-4-methylpiperazin-2-yl]acetamide (PubChem CID 69355303) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]-4-methylpiperazin-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]-4-methylpiperazin-2-yl]acetamide
PubChem CID69355303
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-[1-[(4-chlorophenyl)methyl]-4-methylpiperazin-2-yl]acetamide
SMILESCN1CCN(Cc2ccc(Cl)cc2)C(CC(N)=O)C1
InChIInChI=1S/C14H20ClN3O/c1-17-6-7-18(13(10-17)8-14(16)19)9-11-2-4-12(15)5-3-11/h2-5,13H,6-10H2,1H3,(H2,16,19)
InChIKeyHHFKVPCXRCERER-UHFFFAOYSA-N
XLogP1.33
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Uamc00039
CID 11232124
2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11232123
(S)-2-Amino-4-[(4-chloro-benzyl)-methyl-amino]-1-piperidin-1-yl-butan-1-one
CID 10019118
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
CID 10403949
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-fluoro-piperidin-1-yl)-butan-1-one
CID 11450265
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(3-fluoro-piperidin-1-yl)-butan-1-one
CID 11450266
(2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1-yl)pentan-1-one
CID 16046127
1-[4-[(3-Chlorophenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 742520
1-[4-(2-Chloro-benzyl)-piperazin-1-yl]-3-methyl-butan-1-one
CID 773315
3-[4-(4-Chlorobenzyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione
CID 580799
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(2-methyl-piperidin-1-yl)-butan-1-one
CID 11359214
(S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)butyramide
CID 11558708

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-4-methylpiperazin-2-yl]acetamide?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-4-methylpiperazin-2-yl]acetamide (CID 69355303) is 2-[1-[(4-chlorophenyl)methyl]-4-methylpiperazin-2-yl]acetamide.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]-4-methylpiperazin-2-yl]acetamide?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]-4-methylpiperazin-2-yl]acetamide is CN1CCN(Cc2ccc(Cl)cc2)C(CC(N)=O)C1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]-4-methylpiperazin-2-yl]acetamide?
The InChIKey is HHFKVPCXRCERER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-17-6-7-18(13(10-17)8-14(16)19)9-11-2-4-12(15)5-3-11/h2-5,13H,6-10H2,1H3,(H2,16,19).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]-4-methylpiperazin-2-yl]acetamide?
2-[1-[(4-chlorophenyl)methyl]-4-methylpiperazin-2-yl]acetamide has a molecular weight of 281.79 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]-4-methylpiperazin-2-yl]acetamide is sourced from PubChem (CID 69355303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).