[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride

C14H21Cl3N4O2 — CID 119848066

IUPAC[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
SMILESCl.Cl.O=C(C1CNCCO1)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C14H19ClN4O2.2ClH/c15-11-1-2-13(17-9-11)18-4-6-19(7-5-18)14(20)12-10-16-3-8-21-12;;/h1-2,9,12,16H,3-8,10H2;2*1H
InChIKeyCSROIGYRQOBAJV-UHFFFAOYSA-N
MW383.71 g/mol
LogP1.22
Rot. Bonds2

About [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride

[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride (PubChem CID 119848066) has the molecular formula C14H21Cl3N4O2 and a molecular weight of 383.71 g/mol. Its IUPAC name is [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
PubChem CID119848066
Molecular FormulaC14H21Cl3N4O2
Molecular Weight383.71 g/mol
Exact Mass382.07
IUPAC Name[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
SMILESCl.Cl.O=C(C1CNCCO1)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C14H19ClN4O2.2ClH/c15-11-1-2-13(17-9-11)18-4-6-19(7-5-18)14(20)12-10-16-3-8-21-12;;/h1-2,9,12,16H,3-8,10H2;2*1H
InChIKeyCSROIGYRQOBAJV-UHFFFAOYSA-N
XLogP1.22
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.71
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119747817
[4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119887901
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119720695
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 124696733
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-[(2R)-morpholin-2-yl]methanone
CID 95891534
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 56908154
morpholin-2-yl(piperidin-1-yl)methanone;hydrochloride
CID 71298615
[4-(4-methoxyphenyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 99941257
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119756657
[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119894256
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120634302
[4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119829453

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride?
The IUPAC name of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride (CID 119848066) is [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride.
What is the SMILES notation for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride?
The canonical SMILES for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride is Cl.Cl.O=C(C1CNCCO1)N1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride?
The InChIKey is CSROIGYRQOBAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2.2ClH/c15-11-1-2-13(17-9-11)18-4-6-19(7-5-18)14(20)12-10-16-3-8-21-12;;/h1-2,9,12,16H,3-8,10H2;2*1H.
What are the key properties of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride?
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride has a molecular weight of 383.71 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride is sourced from PubChem (CID 119848066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).