N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;trihydrochloride

C15H33Cl3N4O — CID 119902553

IUPACN-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;trihydrochloride
SMILESCCN1CCN(CC(C)CNC(=O)C2CCNC2)CC1.Cl.Cl.Cl
InChIInChI=1S/C15H30N4O.3ClH/c1-3-18-6-8-19(9-7-18)12-13(2)10-17-15(20)14-4-5-16-11-14;;;/h13-14,16H,3-12H2,1-2H3,(H,17,20);3*1H
InChIKeyUGFBFXAAMRZTGY-UHFFFAOYSA-N
MW391.82 g/mol
LogP1.25
Rot. Bonds6

About N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;trihydrochloride

N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;trihydrochloride (PubChem CID 119902553) has the molecular formula C15H33Cl3N4O and a molecular weight of 391.82 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;trihydrochloride.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;trihydrochloride
PubChem CID119902553
Molecular FormulaC15H33Cl3N4O
Molecular Weight391.82 g/mol
Exact Mass390.17
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;trihydrochloride
SMILESCCN1CCN(CC(C)CNC(=O)C2CCNC2)CC1.Cl.Cl.Cl
InChIInChI=1S/C15H30N4O.3ClH/c1-3-18-6-8-19(9-7-18)12-13(2)10-17-15(20)14-4-5-16-11-14;;;/h13-14,16H,3-12H2,1-2H3,(H,17,20);3*1H
InChIKeyUGFBFXAAMRZTGY-UHFFFAOYSA-N
XLogP1.25
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.82
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 63005234
N-(2-methyl-3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 110462388
N-(3-hydroxy-2-methylpropyl)pyrrolidine-3-carboxamide
CID 65036211
(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113
N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide
CID 63959969
N-(3-ethyl-2-hydroxypentyl)pyrrolidine-3-carboxamide
CID 103811158
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 86823889
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 86823860
N-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119295241
(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130617096
N-(2-hydroxypentyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119783584
N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
CID 119901768

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;trihydrochloride?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;trihydrochloride (CID 119902553) is N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;trihydrochloride.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;trihydrochloride?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;trihydrochloride is CCN1CCN(CC(C)CNC(=O)C2CCNC2)CC1.Cl.Cl.Cl.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;trihydrochloride?
The InChIKey is UGFBFXAAMRZTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O.3ClH/c1-3-18-6-8-19(9-7-18)12-13(2)10-17-15(20)14-4-5-16-11-14;;;/h13-14,16H,3-12H2,1-2H3,(H,17,20);3*1H.
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;trihydrochloride?
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;trihydrochloride has a molecular weight of 391.82 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;trihydrochloride is sourced from PubChem (CID 119902553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).