(3R,4S)-3-methoxy-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one

C20H23N5O3 — CID 91911528

IUPAC(3R,4S)-3-methoxy-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one
SMILESCO[C@H]1C(=O)N(C2CCN(C(=O)c3cnc(C)cn3)CC2)[C@H]1c1ccncc1
InChIInChI=1S/C20H23N5O3/c1-13-11-23-16(12-22-13)19(26)24-9-5-15(6-10-24)25-17(18(28-2)20(25)27)14-3-7-21-8-4-14/h3-4,7-8,11-12,15,17-18H,5-6,9-10H2,1-2H3/t17-,18+/m0/s1
InChIKeyQNNXGBGVTOTSOJ-ZWKOTPCHSA-N
MW381.44 g/mol
LogP1.38
Rot. Bonds4

About (3R,4S)-3-methoxy-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one

(3R,4S)-3-methoxy-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one (PubChem CID 91911528) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is (3R,4S)-3-methoxy-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-methoxy-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one
PubChem CID91911528
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name(3R,4S)-3-methoxy-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one
SMILESCO[C@H]1C(=O)N(C2CCN(C(=O)c3cnc(C)cn3)CC2)[C@H]1c1ccncc1
InChIInChI=1S/C20H23N5O3/c1-13-11-23-16(12-22-13)19(26)24-9-5-15(6-10-24)25-17(18(28-2)20(25)27)14-3-7-21-8-4-14/h3-4,7-8,11-12,15,17-18H,5-6,9-10H2,1-2H3/t17-,18+/m0/s1
InChIKeyQNNXGBGVTOTSOJ-ZWKOTPCHSA-N
XLogP1.38
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4S)-3-methoxy-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one
CID 91911520
1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-(2-methoxyethoxy)-4-pyridin-4-ylazetidin-2-one
CID 171142280
(5-methylpyrazin-2-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 86284339
(5-methylpyrazin-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162110
(1,5-dimethylpyrazol-3-yl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone
CID 171142320
(5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42942674
(3R,4S)-3-(2-methoxyethoxy)-1-(1-methylsulfonylpiperidin-4-yl)-4-pyridin-4-ylazetidin-2-one
CID 91911570
(3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42910146
[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-phenylmethanone
CID 38175380
cyclopentyl-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone
CID 38390846
(5-methylpyrazin-2-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617840
4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]oxybenzaldehyde
CID 71514720

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-methoxy-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one?
The IUPAC name of (3R,4S)-3-methoxy-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one (CID 91911528) is (3R,4S)-3-methoxy-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-methoxy-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-methoxy-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one is CO[C@H]1C(=O)N(C2CCN(C(=O)c3cnc(C)cn3)CC2)[C@H]1c1ccncc1.
What is the InChIKey of (3R,4S)-3-methoxy-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one?
The InChIKey is QNNXGBGVTOTSOJ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13-11-23-16(12-22-13)19(26)24-9-5-15(6-10-24)25-17(18(28-2)20(25)27)14-3-7-21-8-4-14/h3-4,7-8,11-12,15,17-18H,5-6,9-10H2,1-2H3/t17-,18+/m0/s1.
What are the key properties of (3R,4S)-3-methoxy-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one?
(3R,4S)-3-methoxy-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one has a molecular weight of 381.44 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methoxy-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one is sourced from PubChem (CID 91911528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).