[2-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl] propanoate;hydrochloride

C18H27ClN4O3 — CID 67598891

IUPAC[2-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl] propanoate;hydrochloride
SMILESCCC(=O)ON1CCCCC1C(=O)N1CCN(c2ccncc2)CC1.Cl
InChIInChI=1S/C18H26N4O3.ClH/c1-2-17(23)25-22-10-4-3-5-16(22)18(24)21-13-11-20(12-14-21)15-6-8-19-9-7-15;/h6-9,16H,2-5,10-14H2,1H3;1H
InChIKeyWDBNIMYVVKOVCF-UHFFFAOYSA-N
MW382.89 g/mol
LogP1.87
Rot. Bonds4

About [2-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl] propanoate;hydrochloride

[2-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl] propanoate;hydrochloride (PubChem CID 67598891) has the molecular formula C18H27ClN4O3 and a molecular weight of 382.89 g/mol. Its IUPAC name is [2-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl] propanoate;hydrochloride.

Molecular Properties

Compound Name[2-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl] propanoate;hydrochloride
PubChem CID67598891
Molecular FormulaC18H27ClN4O3
Molecular Weight382.89 g/mol
Exact Mass382.18
IUPAC Name[2-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl] propanoate;hydrochloride
SMILESCCC(=O)ON1CCCCC1C(=O)N1CCN(c2ccncc2)CC1.Cl
InChIInChI=1S/C18H26N4O3.ClH/c1-2-17(23)25-22-10-4-3-5-16(22)18(24)21-13-11-20(12-14-21)15-6-8-19-9-7-15;/h6-9,16H,2-5,10-14H2,1H3;1H
InChIKeyWDBNIMYVVKOVCF-UHFFFAOYSA-N
XLogP1.87
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 110868344
(2-hydroxycyclopentyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 110013765
methyl 3-[acetyl-[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoate
CID 21462674
methyl 3-[methyl-[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoate
CID 21462707
[4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylazepan-2-yl)methanone
CID 131927700
[(3R,6S)-6-(dimethylamino)-1-methylazepan-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 165425496
piperazin-1-yl-(1-pyridin-4-ylpiperidin-4-yl)methanone;trihydrochloride
CID 22721820
cyclohexyl-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]methanone
CID 55731339
bis(4-pyridin-4-ylpiperazin-1-yl) propanedioate
CID 67706366
N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 126453634
3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoic acid
CID 21462701
methyl 2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)acetate
CID 67665335

Frequently Asked Questions

What is the IUPAC name of [2-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl] propanoate;hydrochloride?
The IUPAC name of [2-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl] propanoate;hydrochloride (CID 67598891) is [2-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl] propanoate;hydrochloride.
What is the SMILES notation for [2-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl] propanoate;hydrochloride?
The canonical SMILES for [2-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl] propanoate;hydrochloride is CCC(=O)ON1CCCCC1C(=O)N1CCN(c2ccncc2)CC1.Cl.
What is the InChIKey of [2-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl] propanoate;hydrochloride?
The InChIKey is WDBNIMYVVKOVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3.ClH/c1-2-17(23)25-22-10-4-3-5-16(22)18(24)21-13-11-20(12-14-21)15-6-8-19-9-7-15;/h6-9,16H,2-5,10-14H2,1H3;1H.
What are the key properties of [2-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl] propanoate;hydrochloride?
[2-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl] propanoate;hydrochloride has a molecular weight of 382.89 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl] propanoate;hydrochloride is sourced from PubChem (CID 67598891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).