N-[2-(4-ethylpiperazin-1-yl)propyl]-3-piperidin-3-ylbutanamide;trihydrochloride

C18H39Cl3N4O — CID 119901725

IUPACN-[2-(4-ethylpiperazin-1-yl)propyl]-3-piperidin-3-ylbutanamide;trihydrochloride
SMILESCCN1CCN(C(C)CNC(=O)CC(C)C2CCCNC2)CC1.Cl.Cl.Cl
InChIInChI=1S/C18H36N4O.3ClH/c1-4-21-8-10-22(11-9-21)16(3)13-20-18(23)12-15(2)17-6-5-7-19-14-17;;;/h15-17,19H,4-14H2,1-3H3,(H,20,23);3*1H
InChIKeySZWLEGPXXPOFAZ-UHFFFAOYSA-N
MW433.90 g/mol
LogP2.42
Rot. Bonds7

About N-[2-(4-ethylpiperazin-1-yl)propyl]-3-piperidin-3-ylbutanamide;trihydrochloride

N-[2-(4-ethylpiperazin-1-yl)propyl]-3-piperidin-3-ylbutanamide;trihydrochloride (PubChem CID 119901725) has the molecular formula C18H39Cl3N4O and a molecular weight of 433.90 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)propyl]-3-piperidin-3-ylbutanamide;trihydrochloride.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)propyl]-3-piperidin-3-ylbutanamide;trihydrochloride
PubChem CID119901725
Molecular FormulaC18H39Cl3N4O
Molecular Weight433.90 g/mol
Exact Mass432.22
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)propyl]-3-piperidin-3-ylbutanamide;trihydrochloride
SMILESCCN1CCN(C(C)CNC(=O)CC(C)C2CCCNC2)CC1.Cl.Cl.Cl
InChIInChI=1S/C18H36N4O.3ClH/c1-4-21-8-10-22(11-9-21)16(3)13-20-18(23)12-15(2)17-6-5-7-19-14-17;;;/h15-17,19H,4-14H2,1-3H3,(H,20,23);3*1H
InChIKeySZWLEGPXXPOFAZ-UHFFFAOYSA-N
XLogP2.42
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
CID 81047419
N-(2-methylbutyl)-3-piperidin-3-ylbutanamide
CID 81043770
N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773434
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119700669
N-(2-ethoxypropyl)-3-piperidin-3-ylbutanamide
CID 115739458
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-(2-methyl-3-morpholin-4-ylpropyl)-3-piperidin-3-ylbutanamide
CID 119869012
3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
CID 119835530
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
N-(2-morpholin-4-ylethyl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119827786
N-(2-oxo-2-piperidin-1-ylethyl)-3-piperidin-3-ylbutanamide
CID 115738352

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)propyl]-3-piperidin-3-ylbutanamide;trihydrochloride?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)propyl]-3-piperidin-3-ylbutanamide;trihydrochloride (CID 119901725) is N-[2-(4-ethylpiperazin-1-yl)propyl]-3-piperidin-3-ylbutanamide;trihydrochloride.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)propyl]-3-piperidin-3-ylbutanamide;trihydrochloride?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)propyl]-3-piperidin-3-ylbutanamide;trihydrochloride is CCN1CCN(C(C)CNC(=O)CC(C)C2CCCNC2)CC1.Cl.Cl.Cl.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)propyl]-3-piperidin-3-ylbutanamide;trihydrochloride?
The InChIKey is SZWLEGPXXPOFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O.3ClH/c1-4-21-8-10-22(11-9-21)16(3)13-20-18(23)12-15(2)17-6-5-7-19-14-17;;;/h15-17,19H,4-14H2,1-3H3,(H,20,23);3*1H.
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)propyl]-3-piperidin-3-ylbutanamide;trihydrochloride?
N-[2-(4-ethylpiperazin-1-yl)propyl]-3-piperidin-3-ylbutanamide;trihydrochloride has a molecular weight of 433.90 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)propyl]-3-piperidin-3-ylbutanamide;trihydrochloride is sourced from PubChem (CID 119901725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).