2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-chlorophenyl)acetamide

C14H21ClN4O — CID 80506909

IUPAC2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-chlorophenyl)acetamide
SMILESCN1CCN(CC(=O)Nc2cccc(Cl)c2)C(CN)C1
InChIInChI=1S/C14H21ClN4O/c1-18-5-6-19(13(8-16)9-18)10-14(20)17-12-4-2-3-11(15)7-12/h2-4,7,13H,5-6,8-10,16H2,1H3,(H,17,20)
InChIKeySXLKWDKBDKIVCE-UHFFFAOYSA-N
MW296.80 g/mol
LogP0.85
Rot. Bonds4

About 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-chlorophenyl)acetamide

2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-chlorophenyl)acetamide (PubChem CID 80506909) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-chlorophenyl)acetamide
PubChem CID80506909
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-chlorophenyl)acetamide
SMILESCN1CCN(CC(=O)Nc2cccc(Cl)c2)C(CN)C1
InChIInChI=1S/C14H21ClN4O/c1-18-5-6-19(13(8-16)9-18)10-14(20)17-12-4-2-3-11(15)7-12/h2-4,7,13H,5-6,8-10,16H2,1H3,(H,17,20)
InChIKeySXLKWDKBDKIVCE-UHFFFAOYSA-N
XLogP0.85
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 80505154
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2,5-dichlorophenyl)acetamide
CID 80506821
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 119918098
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 119933944
N-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944416
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120728109
1-(3-chlorophenyl)-3-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]urea
CID 43063800
N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65449046
N-(3-chlorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976986
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-tert-butylacetamide
CID 80507212
N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924663

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-chlorophenyl)acetamide (CID 80506909) is 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-chlorophenyl)acetamide is CN1CCN(CC(=O)Nc2cccc(Cl)c2)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-chlorophenyl)acetamide?
The InChIKey is SXLKWDKBDKIVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-18-5-6-19(13(8-16)9-18)10-14(20)17-12-4-2-3-11(15)7-12/h2-4,7,13H,5-6,8-10,16H2,1H3,(H,17,20).
What are the key properties of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-chlorophenyl)acetamide?
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-chlorophenyl)acetamide has a molecular weight of 296.80 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 80506909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).