2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride

C14H31Cl3N4O — CID 119901090

IUPAC2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride
SMILESCN1CCN(CCCNC(=O)CNCC2CC2)CC1.Cl.Cl.Cl
InChIInChI=1S/C14H28N4O.3ClH/c1-17-7-9-18(10-8-17)6-2-5-16-14(19)12-15-11-13-3-4-13;;;/h13,15H,2-12H2,1H3,(H,16,19);3*1H
InChIKeyGRAPFGVAECDOJB-UHFFFAOYSA-N
MW377.79 g/mol
LogP1.01
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride

2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride (PubChem CID 119901090) has the molecular formula C14H31Cl3N4O and a molecular weight of 377.79 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride
PubChem CID119901090
Molecular FormulaC14H31Cl3N4O
Molecular Weight377.79 g/mol
Exact Mass376.16
IUPAC Name2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride
SMILESCN1CCN(CCCNC(=O)CNCC2CC2)CC1.Cl.Cl.Cl
InChIInChI=1S/C14H28N4O.3ClH/c1-17-7-9-18(10-8-17)6-2-5-16-14(19)12-15-11-13-3-4-13;;;/h13,15H,2-12H2,1H3,(H,16,19);3*1H
InChIKeyGRAPFGVAECDOJB-UHFFFAOYSA-N
XLogP1.01
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.79
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835575
2-(cyclopropylmethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide;trihydrochloride
CID 119901944
2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide;dihydrochloride
CID 119849545
2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119866901
2-(cyclopropylmethylamino)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide;dihydrochloride
CID 119850882
2-(azetidin-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 64610391
2-(cyclopropylmethylamino)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide;dihydrochloride
CID 119851340
N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxobutanamide
CID 61251319
N-(cyclopentylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 62069634
2-(cyclopropylmethylamino)-N-(3-cyclopropylpropyl)acetamide
CID 115740556
2-(cyclopropylmethylamino)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide;hydrochloride
CID 119777904
N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604362

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride (CID 119901090) is 2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride is CN1CCN(CCCNC(=O)CNCC2CC2)CC1.Cl.Cl.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride?
The InChIKey is GRAPFGVAECDOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O.3ClH/c1-17-7-9-18(10-8-17)6-2-5-16-14(19)12-15-11-13-3-4-13;;;/h13,15H,2-12H2,1H3,(H,16,19);3*1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride?
2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride has a molecular weight of 377.79 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride is sourced from PubChem (CID 119901090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).