N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride

C15H33Cl3N4O — CID 119901823

IUPACN-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride
SMILESCCN1CCN(CCCNC(=O)C2CCCNC2)CC1.Cl.Cl.Cl
InChIInChI=1S/C15H30N4O.3ClH/c1-2-18-9-11-19(12-10-18)8-4-7-17-15(20)14-5-3-6-16-13-14;;;/h14,16H,2-13H2,1H3,(H,17,20);3*1H
InChIKeyVQQIVFPDVAYSCZ-UHFFFAOYSA-N
MW391.82 g/mol
LogP1.40
Rot. Bonds6

About N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride

N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride (PubChem CID 119901823) has the molecular formula C15H33Cl3N4O and a molecular weight of 391.82 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride
PubChem CID119901823
Molecular FormulaC15H33Cl3N4O
Molecular Weight391.82 g/mol
Exact Mass390.17
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride
SMILESCCN1CCN(CCCNC(=O)C2CCCNC2)CC1.Cl.Cl.Cl
InChIInChI=1S/C15H30N4O.3ClH/c1-2-18-9-11-19(12-10-18)8-4-7-17-15(20)14-5-3-6-16-13-14;;;/h14,16H,2-13H2,1H3,(H,17,20);3*1H
InChIKeyVQQIVFPDVAYSCZ-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
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

N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
CID 119901768
N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride
CID 119831193
(3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide
CID 81123639
N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide
CID 119852387
N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-3-carboxamide;trihydrochloride
CID 119901172
N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119835547
(3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 67293748
N-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 55150802
N-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide
CID 119831281
N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 54967476
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride
CID 119901292
N-(3-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119280390

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride (CID 119901823) is N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride is CCN1CCN(CCCNC(=O)C2CCCNC2)CC1.Cl.Cl.Cl.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride?
The InChIKey is VQQIVFPDVAYSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O.3ClH/c1-2-18-9-11-19(12-10-18)8-4-7-17-15(20)14-5-3-6-16-13-14;;;/h14,16H,2-13H2,1H3,(H,17,20);3*1H.
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride?
N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride has a molecular weight of 391.82 g/mol, XLogP of 1.40, 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)propyl]piperidine-3-carboxamide;trihydrochloride is sourced from PubChem (CID 119901823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).