N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-3-ylbutanamide;dihydrochloride

C17H34Cl2N4O2 — CID 119849539

IUPACN-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NCCC(=O)N1CCN(C)CC1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C17H32N4O2.2ClH/c1-14(15-4-3-6-18-13-15)12-16(22)19-7-5-17(23)21-10-8-20(2)9-11-21;;/h14-15,18H,3-13H2,1-2H3,(H,19,22);2*1H
InChIKeyIJVZIPULCYGWCH-UHFFFAOYSA-N
MW397.39 g/mol
LogP1.14
Rot. Bonds6

About N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-3-ylbutanamide;dihydrochloride

N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-3-ylbutanamide;dihydrochloride (PubChem CID 119849539) has the molecular formula C17H34Cl2N4O2 and a molecular weight of 397.39 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-3-ylbutanamide;dihydrochloride
PubChem CID119849539
Molecular FormulaC17H34Cl2N4O2
Molecular Weight397.39 g/mol
Exact Mass396.21
IUPAC NameN-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NCCC(=O)N1CCN(C)CC1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C17H32N4O2.2ClH/c1-14(15-4-3-6-18-13-15)12-16(22)19-7-5-17(23)21-10-8-20(2)9-11-21;;/h14-15,18H,3-13H2,1-2H3,(H,19,22);2*1H
InChIKeyIJVZIPULCYGWCH-UHFFFAOYSA-N
XLogP1.14
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119700669
N-(2-oxo-2-piperidin-1-ylethyl)-3-piperidin-3-ylbutanamide
CID 115738352
N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide
CID 81044384
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-(2-morpholin-4-ylethyl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119827786
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-(2-morpholin-4-ylethyl)-3-piperidin-3-ylbutanamide
CID 81043564
N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119728333
1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119715757
N-[4-(4-methylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide
CID 119852423
N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773434

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-3-ylbutanamide;dihydrochloride (CID 119849539) is N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-3-ylbutanamide;dihydrochloride is CC(CC(=O)NCCC(=O)N1CCN(C)CC1)C1CCCNC1.Cl.Cl.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The InChIKey is IJVZIPULCYGWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2.2ClH/c1-14(15-4-3-6-18-13-15)12-16(22)19-7-5-17(23)21-10-8-20(2)9-11-21;;/h14-15,18H,3-13H2,1-2H3,(H,19,22);2*1H.
What are the key properties of N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-3-ylbutanamide;dihydrochloride has a molecular weight of 397.39 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119849539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).