N-(2-methoxypropyl)-2-piperazin-1-ylacetamide;dihydrochloride

C10H23Cl2N3O2 — CID 69457989

IUPACN-(2-methoxypropyl)-2-piperazin-1-ylacetamide;dihydrochloride
SMILESCOC(C)CNC(=O)CN1CCNCC1.Cl.Cl
InChIInChI=1S/C10H21N3O2.2ClH/c1-9(15-2)7-12-10(14)8-13-5-3-11-4-6-13;;/h9,11H,3-8H2,1-2H3,(H,12,14);2*1H
InChIKeyKSMIITLDSIEHJS-UHFFFAOYSA-N
MW288.22 g/mol
LogP-0.11
Rot. Bonds5

About N-(2-methoxypropyl)-2-piperazin-1-ylacetamide;dihydrochloride

N-(2-methoxypropyl)-2-piperazin-1-ylacetamide;dihydrochloride (PubChem CID 69457989) has the molecular formula C10H23Cl2N3O2 and a molecular weight of 288.22 g/mol. Its IUPAC name is N-(2-methoxypropyl)-2-piperazin-1-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-methoxypropyl)-2-piperazin-1-ylacetamide;dihydrochloride
PubChem CID69457989
Molecular FormulaC10H23Cl2N3O2
Molecular Weight288.22 g/mol
Exact Mass287.12
IUPAC NameN-(2-methoxypropyl)-2-piperazin-1-ylacetamide;dihydrochloride
SMILESCOC(C)CNC(=O)CN1CCNCC1.Cl.Cl
InChIInChI=1S/C10H21N3O2.2ClH/c1-9(15-2)7-12-10(14)8-13-5-3-11-4-6-13;;/h9,11H,3-8H2,1-2H3,(H,12,14);2*1H
InChIKeyKSMIITLDSIEHJS-UHFFFAOYSA-N
XLogP-0.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(2,2-dimethoxyethyl)acetamide
CID 62839766
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-methylpropanoic acid
CID 62833118
2-(1,4-diazepan-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65035920
2-hydroxy-3-[(2-piperazin-1-ylacetyl)amino]propanoic acid
CID 66167593
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylacetamide
CID 62636869
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 81073099
methyl N-(2-piperazin-1-ylacetyl)carbamate
CID 43162377
N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193
N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62839250
N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylacetamide
CID 65049341
2-[(2-piperazin-1-ylacetyl)amino]propanoic acid
CID 61157899
3-[[[2-(1,4-diazepan-1-yl)acetyl]amino]methyl]pentanoic acid
CID 81073298

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-2-piperazin-1-ylacetamide;dihydrochloride?
The IUPAC name of N-(2-methoxypropyl)-2-piperazin-1-ylacetamide;dihydrochloride (CID 69457989) is N-(2-methoxypropyl)-2-piperazin-1-ylacetamide;dihydrochloride.
What is the SMILES notation for N-(2-methoxypropyl)-2-piperazin-1-ylacetamide;dihydrochloride?
The canonical SMILES for N-(2-methoxypropyl)-2-piperazin-1-ylacetamide;dihydrochloride is COC(C)CNC(=O)CN1CCNCC1.Cl.Cl.
What is the InChIKey of N-(2-methoxypropyl)-2-piperazin-1-ylacetamide;dihydrochloride?
The InChIKey is KSMIITLDSIEHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2.2ClH/c1-9(15-2)7-12-10(14)8-13-5-3-11-4-6-13;;/h9,11H,3-8H2,1-2H3,(H,12,14);2*1H.
What are the key properties of N-(2-methoxypropyl)-2-piperazin-1-ylacetamide;dihydrochloride?
N-(2-methoxypropyl)-2-piperazin-1-ylacetamide;dihydrochloride has a molecular weight of 288.22 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-2-piperazin-1-ylacetamide;dihydrochloride is sourced from PubChem (CID 69457989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).