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

C19H33Cl3N4O — CID 119901944

IUPAC2-(cyclopropylmethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide;trihydrochloride
SMILESCl.Cl.Cl.O=C(CNCC1CC1)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H30N4O.3ClH/c24-19(16-20-15-17-7-8-17)21-9-4-10-22-11-13-23(14-12-22)18-5-2-1-3-6-18;;;/h1-3,5-6,17,20H,4,7-16H2,(H,21,24);3*1H
InChIKeyMKGXPFLYHVIJGD-UHFFFAOYSA-N
MW439.86 g/mol
LogP2.58
Rot. Bonds9

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

2-(cyclopropylmethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide;trihydrochloride (PubChem CID 119901944) has the molecular formula C19H33Cl3N4O and a molecular weight of 439.86 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide;trihydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide;trihydrochloride
PubChem CID119901944
Molecular FormulaC19H33Cl3N4O
Molecular Weight439.86 g/mol
Exact Mass438.17
IUPAC Name2-(cyclopropylmethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide;trihydrochloride
SMILESCl.Cl.Cl.O=C(CNCC1CC1)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H30N4O.3ClH/c24-19(16-20-15-17-7-8-17)21-9-4-10-22-11-13-23(14-12-22)18-5-2-1-3-6-18;;;/h1-3,5-6,17,20H,4,7-16H2,(H,21,24);3*1H
InChIKeyMKGXPFLYHVIJGD-UHFFFAOYSA-N
XLogP2.58
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.86
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835575
2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride
CID 119901090
2-(cyclopropylmethylamino)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide;dihydrochloride
CID 119851340
1-(cyclopropylmethyl)-2-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111869271
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
3-amino-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide;trihydrochloride
CID 119901932
N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 43071347
3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide
CID 52691963
2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 42224572
5-bromo-N-[2-oxo-2-[3-(4-phenylpiperazin-1-yl)propylamino]ethyl]thiophene-2-carboxamide
CID 55853534
N-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide
CID 55965939
2-(cyclopropylmethylamino)-N-(3-phenoxypropyl)acetamide
CID 62380963

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide;trihydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide;trihydrochloride (CID 119901944) is 2-(cyclopropylmethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide;trihydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide;trihydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide;trihydrochloride is Cl.Cl.Cl.O=C(CNCC1CC1)NCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide;trihydrochloride?
The InChIKey is MKGXPFLYHVIJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O.3ClH/c24-19(16-20-15-17-7-8-17)21-9-4-10-22-11-13-23(14-12-22)18-5-2-1-3-6-18;;;/h1-3,5-6,17,20H,4,7-16H2,(H,21,24);3*1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide;trihydrochloride?
2-(cyclopropylmethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide;trihydrochloride has a molecular weight of 439.86 g/mol, XLogP of 2.58, 9 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-phenylpiperazin-1-yl)propyl]acetamide;trihydrochloride is sourced from PubChem (CID 119901944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).