N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-3-carboxamide;trihydrochloride

C13H29Cl3N4O — CID 119901172

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-3-carboxamide;trihydrochloride
SMILESCN1CCN(CCNC(=O)C2CCCNC2)CC1.Cl.Cl.Cl
InChIInChI=1S/C13H26N4O.3ClH/c1-16-7-9-17(10-8-16)6-5-15-13(18)12-3-2-4-14-11-12;;;/h12,14H,2-11H2,1H3,(H,15,18);3*1H
InChIKeyBKSHUQFCLLUYRX-UHFFFAOYSA-N
MW363.76 g/mol
LogP0.62
Rot. Bonds4

About N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-3-carboxamide;trihydrochloride

N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-3-carboxamide;trihydrochloride (PubChem CID 119901172) has the molecular formula C13H29Cl3N4O and a molecular weight of 363.76 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-3-carboxamide;trihydrochloride.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-3-carboxamide;trihydrochloride
PubChem CID119901172
Molecular FormulaC13H29Cl3N4O
Molecular Weight363.76 g/mol
Exact Mass362.14
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-3-carboxamide;trihydrochloride
SMILESCN1CCN(CCNC(=O)C2CCCNC2)CC1.Cl.Cl.Cl
InChIInChI=1S/C13H26N4O.3ClH/c1-16-7-9-17(10-8-16)6-5-15-13(18)12-3-2-4-14-11-12;;;/h12,14H,2-11H2,1H3,(H,15,18);3*1H
InChIKeyBKSHUQFCLLUYRX-UHFFFAOYSA-N
XLogP0.62
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.76
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
CID 119901768
N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 54967476
N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride
CID 119901823
N-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 55150802
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
1-[2-(4-methylpiperazin-1-yl)ethyl]-3-piperidin-3-ylurea
CID 117235825
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119310346
N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 60717706
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119835547

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-3-carboxamide;trihydrochloride?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-3-carboxamide;trihydrochloride (CID 119901172) is N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-3-carboxamide;trihydrochloride.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-3-carboxamide;trihydrochloride?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-3-carboxamide;trihydrochloride is CN1CCN(CCNC(=O)C2CCCNC2)CC1.Cl.Cl.Cl.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-3-carboxamide;trihydrochloride?
The InChIKey is BKSHUQFCLLUYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O.3ClH/c1-16-7-9-17(10-8-16)6-5-15-13(18)12-3-2-4-14-11-12;;;/h12,14H,2-11H2,1H3,(H,15,18);3*1H.
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-3-carboxamide;trihydrochloride?
N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-3-carboxamide;trihydrochloride has a molecular weight of 363.76 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-3-carboxamide;trihydrochloride is sourced from PubChem (CID 119901172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).