2-(4-methylpiperazin-1-yl)-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride

C17H28Cl2N4O — CID 119453034

IUPAC2-(4-methylpiperazin-1-yl)-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
SMILESCN1CCN(C(C(=O)NC2CCNC2)c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C17H26N4O.2ClH/c1-20-9-11-21(12-10-20)16(14-5-3-2-4-6-14)17(22)19-15-7-8-18-13-15;;/h2-6,15-16,18H,7-13H2,1H3,(H,19,22);2*1H
InChIKeyLVWCXANDWIUMAK-UHFFFAOYSA-N
MW375.34 g/mol
LogP1.30
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride

2-(4-methylpiperazin-1-yl)-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride (PubChem CID 119453034) has the molecular formula C17H28Cl2N4O and a molecular weight of 375.34 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
PubChem CID119453034
Molecular FormulaC17H28Cl2N4O
Molecular Weight375.34 g/mol
Exact Mass374.16
IUPAC Name2-(4-methylpiperazin-1-yl)-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
SMILESCN1CCN(C(C(=O)NC2CCNC2)c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C17H26N4O.2ClH/c1-20-9-11-21(12-10-20)16(14-5-3-2-4-6-14)17(22)19-15-7-8-18-13-15;;/h2-6,15-16,18H,7-13H2,1H3,(H,19,22);2*1H
InChIKeyLVWCXANDWIUMAK-UHFFFAOYSA-N
XLogP1.30
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 9033055
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride
CID 119458426
(2S)-2-(4-acetylpiperazin-1-yl)-N-cyclopropyl-2-phenylacetamide
CID 9033825
2,2-diphenyl-N-pyrrolidin-3-ylacetamide
CID 21221994
3-methyl-2-phenyl-N-pyrrolidin-3-ylbutanamide
CID 119449948
(2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide
CID 94820416
2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid
CID 119350173
N-[(2S)-1-aminopropan-2-yl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride
CID 120506442
(2S)-N-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 9029671
2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 119389366
2-benzylsulfanyl-3-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119451901
N-[2-oxo-1-phenyl-2-(pyrrolidin-3-ylamino)ethyl]benzamide
CID 119449549

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride (CID 119453034) is 2-(4-methylpiperazin-1-yl)-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride is CN1CCN(C(C(=O)NC2CCNC2)c2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride?
The InChIKey is LVWCXANDWIUMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.2ClH/c1-20-9-11-21(12-10-20)16(14-5-3-2-4-6-14)17(22)19-15-7-8-18-13-15;;/h2-6,15-16,18H,7-13H2,1H3,(H,19,22);2*1H.
What are the key properties of 2-(4-methylpiperazin-1-yl)-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride?
2-(4-methylpiperazin-1-yl)-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride has a molecular weight of 375.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119453034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).