N-(2-amino-1-cyclopropylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride

C16H27Cl2N5O — CID 119616508

IUPACN-(2-amino-1-cyclopropylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)CN1CCN(c2ccccn2)CC1)C1CC1
InChIInChI=1S/C16H25N5O.2ClH/c17-11-14(13-4-5-13)19-16(22)12-20-7-9-21(10-8-20)15-3-1-2-6-18-15;;/h1-3,6,13-14H,4-5,7-12,17H2,(H,19,22);2*1H
InChIKeyLNITVWREBSJVBT-UHFFFAOYSA-N
MW376.33 g/mol
LogP0.90
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride

N-(2-amino-1-cyclopropylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride (PubChem CID 119616508) has the molecular formula C16H27Cl2N5O and a molecular weight of 376.33 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride
PubChem CID119616508
Molecular FormulaC16H27Cl2N5O
Molecular Weight376.33 g/mol
Exact Mass375.16
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)CN1CCN(c2ccccn2)CC1)C1CC1
InChIInChI=1S/C16H25N5O.2ClH/c17-11-14(13-4-5-13)19-16(22)12-20-7-9-21(10-8-20)15-3-1-2-6-18-15;;/h1-3,6,13-14H,4-5,7-12,17H2,(H,19,22);2*1H
InChIKeyLNITVWREBSJVBT-UHFFFAOYSA-N
XLogP0.90
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminocyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride
CID 119477889
N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4884816
3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanamide
CID 86910705
N-(1-methoxypropan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 51199549
methyl (2S,3R)-3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanoate
CID 8617314
N-(1,2-diphenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 17412124
methyl (2S)-3-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]propanoate
CID 8620452
N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 43509569
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8546590
N-(2-amino-1-cyclopropylethyl)pyridine-2-carboxamide;dihydrochloride
CID 119617299
N-(1-aminohexan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 119665105
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride (CID 119616508) is N-(2-amino-1-cyclopropylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride is Cl.Cl.NCC(NC(=O)CN1CCN(c2ccccn2)CC1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride?
The InChIKey is LNITVWREBSJVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O.2ClH/c17-11-14(13-4-5-13)19-16(22)12-20-7-9-21(10-8-20)15-3-1-2-6-18-15;;/h1-3,6,13-14H,4-5,7-12,17H2,(H,19,22);2*1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride has a molecular weight of 376.33 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride is sourced from PubChem (CID 119616508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).