[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-pyrimidin-2-ylmethanone

C15H15ClN4O2 — CID 121017872

IUPAC[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)N1CCC(Oc2ccncc2Cl)CC1
InChIInChI=1S/C15H15ClN4O2/c16-12-10-17-7-2-13(12)22-11-3-8-20(9-4-11)15(21)14-18-5-1-6-19-14/h1-2,5-7,10-11H,3-4,8-9H2
InChIKeyXLVOVMCRBNYWOQ-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.21
Rot. Bonds3

About [4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-pyrimidin-2-ylmethanone

[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-pyrimidin-2-ylmethanone (PubChem CID 121017872) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is [4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-pyrimidin-2-ylmethanone
PubChem CID121017872
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)N1CCC(Oc2ccncc2Cl)CC1
InChIInChI=1S/C15H15ClN4O2/c16-12-10-17-7-2-13(12)22-11-3-8-20(9-4-11)15(21)14-18-5-1-6-19-14/h1-2,5-7,10-11H,3-4,8-9H2
InChIKeyXLVOVMCRBNYWOQ-UHFFFAOYSA-N
XLogP2.21
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-bromophenyl)-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone
CID 119100578
[2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidine-1-carbonyl]phenyl]-phenylmethanone
CID 119100237
tert-butyl 3-[(3-chloro-4-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 172892748
1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 121017510
[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 119100261
1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 121017876
[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone
CID 119100273
[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121017487
4-[(3-chloro-4-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide
CID 119100618
1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-ethoxyethanone
CID 119100246
2-(1,2-benzoxazol-3-yl)-1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 121017833
tert-butyl N-[1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 121017862

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-pyrimidin-2-ylmethanone?
The IUPAC name of [4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-pyrimidin-2-ylmethanone (CID 121017872) is [4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-pyrimidin-2-ylmethanone.
What is the SMILES notation for [4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-pyrimidin-2-ylmethanone?
The canonical SMILES for [4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-pyrimidin-2-ylmethanone is O=C(c1ncccn1)N1CCC(Oc2ccncc2Cl)CC1.
What is the InChIKey of [4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-pyrimidin-2-ylmethanone?
The InChIKey is XLVOVMCRBNYWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c16-12-10-17-7-2-13(12)22-11-3-8-20(9-4-11)15(21)14-18-5-1-6-19-14/h1-2,5-7,10-11H,3-4,8-9H2.
What are the key properties of [4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-pyrimidin-2-ylmethanone?
[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-pyrimidin-2-ylmethanone has a molecular weight of 318.76 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-pyrimidin-2-ylmethanone is sourced from PubChem (CID 121017872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).