(3-propoxypiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone

C18H22N4O2 — CID 110090712

IUPAC(3-propoxypiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone
SMILESCCCOC1CCCN(C(=O)c2ccc(-c3cncnc3)nc2)C1
InChIInChI=1S/C18H22N4O2/c1-2-8-24-16-4-3-7-22(12-16)18(23)14-5-6-17(21-11-14)15-9-19-13-20-10-15/h5-6,9-11,13,16H,2-4,7-8,12H2,1H3
InChIKeyKCDMPADXCYXQKK-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.57
Rot. Bonds5

About (3-propoxypiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone

(3-propoxypiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone (PubChem CID 110090712) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (3-propoxypiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-propoxypiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone
PubChem CID110090712
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(3-propoxypiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone
SMILESCCCOC1CCCN(C(=O)c2ccc(-c3cncnc3)nc2)C1
InChIInChI=1S/C18H22N4O2/c1-2-8-24-16-4-3-7-22(12-16)18(23)14-5-6-17(21-11-14)15-9-19-13-20-10-15/h5-6,9-11,13,16H,2-4,7-8,12H2,1H3
InChIKeyKCDMPADXCYXQKK-UHFFFAOYSA-N
XLogP2.57
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029100
[4-(chloromethyl)phenyl]-(3-propoxypiperidin-1-yl)methanone
CID 61169758
6-(3-propoxypiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748316
4-(3-propoxypiperidine-1-carbonyl)benzenecarbothioamide
CID 47827117
2-[3-[(3S)-3-propoxypiperidine-1-carbonyl]phenyl]pyridine-4-carboxylic acid
CID 125163547
(6-chloro-3-pyridinyl)-(4-propoxyazepan-1-yl)methanone
CID 71878080
(4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170146
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973
(4-bromo-3-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 103872801
5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one
CID 99983565
[4-(1-methylindazol-5-yl)phenyl]-[(3R)-3-propoxypiperidin-1-yl]methanone
CID 126449691

Frequently Asked Questions

What is the IUPAC name of (3-propoxypiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone?
The IUPAC name of (3-propoxypiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone (CID 110090712) is (3-propoxypiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone.
What is the SMILES notation for (3-propoxypiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone?
The canonical SMILES for (3-propoxypiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone is CCCOC1CCCN(C(=O)c2ccc(-c3cncnc3)nc2)C1.
What is the InChIKey of (3-propoxypiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone?
The InChIKey is KCDMPADXCYXQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-8-24-16-4-3-7-22(12-16)18(23)14-5-6-17(21-11-14)15-9-19-13-20-10-15/h5-6,9-11,13,16H,2-4,7-8,12H2,1H3.
What are the key properties of (3-propoxypiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone?
(3-propoxypiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone has a molecular weight of 326.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propoxypiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone is sourced from PubChem (CID 110090712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).