piperazin-1-yl-(1-pyridin-4-ylpiperidin-4-yl)methanone;trihydrochloride

C15H25Cl3N4O — CID 22721820

IUPACpiperazin-1-yl-(1-pyridin-4-ylpiperidin-4-yl)methanone;trihydrochloride
SMILESCl.Cl.Cl.O=C(C1CCN(c2ccncc2)CC1)N1CCNCC1
InChIInChI=1S/C15H22N4O.3ClH/c20-15(19-11-7-17-8-12-19)13-3-9-18(10-4-13)14-1-5-16-6-2-14;;;/h1-2,5-6,13,17H,3-4,7-12H2;3*1H
InChIKeyIQWBXSUUWQJNFK-UHFFFAOYSA-N
MW383.75 g/mol
LogP2.00
Rot. Bonds2

About piperazin-1-yl-(1-pyridin-4-ylpiperidin-4-yl)methanone;trihydrochloride

piperazin-1-yl-(1-pyridin-4-ylpiperidin-4-yl)methanone;trihydrochloride (PubChem CID 22721820) has the molecular formula C15H25Cl3N4O and a molecular weight of 383.75 g/mol. Its IUPAC name is piperazin-1-yl-(1-pyridin-4-ylpiperidin-4-yl)methanone;trihydrochloride.

Molecular Properties

Compound Namepiperazin-1-yl-(1-pyridin-4-ylpiperidin-4-yl)methanone;trihydrochloride
PubChem CID22721820
Molecular FormulaC15H25Cl3N4O
Molecular Weight383.75 g/mol
Exact Mass382.11
IUPAC Namepiperazin-1-yl-(1-pyridin-4-ylpiperidin-4-yl)methanone;trihydrochloride
SMILESCl.Cl.Cl.O=C(C1CCN(c2ccncc2)CC1)N1CCNCC1
InChIInChI=1S/C15H22N4O.3ClH/c20-15(19-11-7-17-8-12-19)13-3-9-18(10-4-13)14-1-5-16-6-2-14;;;/h1-2,5-6,13,17H,3-4,7-12H2;3*1H
InChIKeyIQWBXSUUWQJNFK-UHFFFAOYSA-N
XLogP2.00
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.75
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 110868344
(3-aminopyrrolidin-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone;hydrochloride
CID 22721764
5-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 167762311
3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoic acid
CID 21462701
[4-(4-aminophenyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 70311502
morpholin-4-yl-(1-pyridin-4-ylazetidin-3-yl)methanone
CID 163357808
[4-[2-(4-bromophenyl)ethenylsulfonyl]piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
CID 54251653
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119827947
(2-hydroxycyclopentyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 110013765
N-butan-2-yl-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384683
[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
CID 92882193

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-(1-pyridin-4-ylpiperidin-4-yl)methanone;trihydrochloride?
The IUPAC name of piperazin-1-yl-(1-pyridin-4-ylpiperidin-4-yl)methanone;trihydrochloride (CID 22721820) is piperazin-1-yl-(1-pyridin-4-ylpiperidin-4-yl)methanone;trihydrochloride.
What is the SMILES notation for piperazin-1-yl-(1-pyridin-4-ylpiperidin-4-yl)methanone;trihydrochloride?
The canonical SMILES for piperazin-1-yl-(1-pyridin-4-ylpiperidin-4-yl)methanone;trihydrochloride is Cl.Cl.Cl.O=C(C1CCN(c2ccncc2)CC1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-(1-pyridin-4-ylpiperidin-4-yl)methanone;trihydrochloride?
The InChIKey is IQWBXSUUWQJNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O.3ClH/c20-15(19-11-7-17-8-12-19)13-3-9-18(10-4-13)14-1-5-16-6-2-14;;;/h1-2,5-6,13,17H,3-4,7-12H2;3*1H.
What are the key properties of piperazin-1-yl-(1-pyridin-4-ylpiperidin-4-yl)methanone;trihydrochloride?
piperazin-1-yl-(1-pyridin-4-ylpiperidin-4-yl)methanone;trihydrochloride has a molecular weight of 383.75 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-(1-pyridin-4-ylpiperidin-4-yl)methanone;trihydrochloride is sourced from PubChem (CID 22721820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).