2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide;dihydrochloride

C14H28Cl2N4O2 — CID 119849545

IUPAC2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide;dihydrochloride
SMILESCN1CCN(C(=O)CCNC(=O)CNCC2CC2)CC1.Cl.Cl
InChIInChI=1S/C14H26N4O2.2ClH/c1-17-6-8-18(9-7-17)14(20)4-5-16-13(19)11-15-10-12-2-3-12;;/h12,15H,2-11H2,1H3,(H,16,19);2*1H
InChIKeyVVENXDUHTJADDO-UHFFFAOYSA-N
MW355.31 g/mol
LogP0.11
Rot. Bonds7

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

2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide;dihydrochloride (PubChem CID 119849545) has the molecular formula C14H28Cl2N4O2 and a molecular weight of 355.31 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide;dihydrochloride
PubChem CID119849545
Molecular FormulaC14H28Cl2N4O2
Molecular Weight355.31 g/mol
Exact Mass354.16
IUPAC Name2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide;dihydrochloride
SMILESCN1CCN(C(=O)CCNC(=O)CNCC2CC2)CC1.Cl.Cl
InChIInChI=1S/C14H26N4O2.2ClH/c1-17-6-8-18(9-7-17)14(20)4-5-16-13(19)11-15-10-12-2-3-12;;/h12,15H,2-11H2,1H3,(H,16,19);2*1H
InChIKeyVVENXDUHTJADDO-UHFFFAOYSA-N
XLogP0.11
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide;dihydrochloride 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-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride
CID 119901090
2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119866901
2-[(4-ethylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60973098
4-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pentanamide;dihydrochloride
CID 120564659
3-[(1-methylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62655429
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methoxyethyl)propanamide
CID 112701684
2-[(3-hydroxycyclopentyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 106129832
2-(cyclopropylmethylamino)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide;dihydrochloride
CID 119850882
2-(cyclopropylmethylamino)-N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]acetamide;hydrochloride
CID 119783983
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835575
N-(2-acetamidoethyl)-2-(cyclopropylmethylamino)acetamide
CID 60867423
[3-(4-methylpiperazin-1-yl)-3-oxopropyl]carbamoyl pyrrolidine-1-carboxylate
CID 177056629

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide;dihydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide;dihydrochloride (CID 119849545) is 2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide;dihydrochloride is CN1CCN(C(=O)CCNC(=O)CNCC2CC2)CC1.Cl.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide;dihydrochloride?
The InChIKey is VVENXDUHTJADDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2.2ClH/c1-17-6-8-18(9-7-17)14(20)4-5-16-13(19)11-15-10-12-2-3-12;;/h12,15H,2-11H2,1H3,(H,16,19);2*1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide;dihydrochloride?
2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide;dihydrochloride has a molecular weight of 355.31 g/mol, XLogP of 0.11, 7 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)-3-oxopropyl]acetamide;dihydrochloride is sourced from PubChem (CID 119849545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).