N-[4-(4-ethylpiperazin-1-yl)butyl]-2-pyrrolidin-2-ylacetamide;trihydrochloride

C16H35Cl3N4O — CID 119902055

IUPACN-[4-(4-ethylpiperazin-1-yl)butyl]-2-pyrrolidin-2-ylacetamide;trihydrochloride
SMILESCCN1CCN(CCCCNC(=O)CC2CCCN2)CC1.Cl.Cl.Cl
InChIInChI=1S/C16H32N4O.3ClH/c1-2-19-10-12-20(13-11-19)9-4-3-7-18-16(21)14-15-6-5-8-17-15;;;/h15,17H,2-14H2,1H3,(H,18,21);3*1H
InChIKeyJAIBMWMJCAQURJ-UHFFFAOYSA-N
MW405.84 g/mol
LogP1.93
Rot. Bonds8

About N-[4-(4-ethylpiperazin-1-yl)butyl]-2-pyrrolidin-2-ylacetamide;trihydrochloride

N-[4-(4-ethylpiperazin-1-yl)butyl]-2-pyrrolidin-2-ylacetamide;trihydrochloride (PubChem CID 119902055) has the molecular formula C16H35Cl3N4O and a molecular weight of 405.84 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)butyl]-2-pyrrolidin-2-ylacetamide;trihydrochloride.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)butyl]-2-pyrrolidin-2-ylacetamide;trihydrochloride
PubChem CID119902055
Molecular FormulaC16H35Cl3N4O
Molecular Weight405.84 g/mol
Exact Mass404.19
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)butyl]-2-pyrrolidin-2-ylacetamide;trihydrochloride
SMILESCCN1CCN(CCCCNC(=O)CC2CCCN2)CC1.Cl.Cl.Cl
InChIInChI=1S/C16H32N4O.3ClH/c1-2-19-10-12-20(13-11-19)9-4-3-7-18-16(21)14-15-6-5-8-17-15;;;/h15,17H,2-14H2,1H3,(H,18,21);3*1H
InChIKeyJAIBMWMJCAQURJ-UHFFFAOYSA-N
XLogP1.93
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 51.93
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-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835586
N-octyl-2-pyrrolidin-2-ylacetamide
CID 115567860
N-(2-piperidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide
CID 54967426
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-2-pyrrolidin-2-ylacetamide
CID 119895457
N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide
CID 61366460
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 113267487
N-[2-(3-methylpiperidin-1-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119851043
2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride
CID 119781580
N-[2-(diethylamino)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119826503
N-(3-propan-2-yloxypropyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119677888
N-(2-methylsulfinylethyl)-2-pyrrolidin-2-ylacetamide
CID 115739238
N,N-dimethyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanamide
CID 119748283

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)butyl]-2-pyrrolidin-2-ylacetamide;trihydrochloride?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)butyl]-2-pyrrolidin-2-ylacetamide;trihydrochloride (CID 119902055) is N-[4-(4-ethylpiperazin-1-yl)butyl]-2-pyrrolidin-2-ylacetamide;trihydrochloride.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)butyl]-2-pyrrolidin-2-ylacetamide;trihydrochloride?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)butyl]-2-pyrrolidin-2-ylacetamide;trihydrochloride is CCN1CCN(CCCCNC(=O)CC2CCCN2)CC1.Cl.Cl.Cl.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)butyl]-2-pyrrolidin-2-ylacetamide;trihydrochloride?
The InChIKey is JAIBMWMJCAQURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O.3ClH/c1-2-19-10-12-20(13-11-19)9-4-3-7-18-16(21)14-15-6-5-8-17-15;;;/h15,17H,2-14H2,1H3,(H,18,21);3*1H.
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)butyl]-2-pyrrolidin-2-ylacetamide;trihydrochloride?
N-[4-(4-ethylpiperazin-1-yl)butyl]-2-pyrrolidin-2-ylacetamide;trihydrochloride has a molecular weight of 405.84 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)butyl]-2-pyrrolidin-2-ylacetamide;trihydrochloride is sourced from PubChem (CID 119902055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).