(3R,4S)-4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methoxy-1-propan-2-ylazetidin-2-one

C19H27FN2O2 — CID 91923719

IUPAC(3R,4S)-4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methoxy-1-propan-2-ylazetidin-2-one
SMILESCO[C@H]1C(=O)N(C(C)C)[C@H]1C1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C19H27FN2O2/c1-13(2)22-17(18(24-3)19(22)23)15-7-9-21(10-8-15)12-14-5-4-6-16(20)11-14/h4-6,11,13,15,17-18H,7-10,12H2,1-3H3/t17-,18+/m0/s1
InChIKeyUHOBXRJHTTZARB-ZWKOTPCHSA-N
MW334.43 g/mol
LogP2.67
Rot. Bonds5

About (3R,4S)-4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methoxy-1-propan-2-ylazetidin-2-one

(3R,4S)-4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methoxy-1-propan-2-ylazetidin-2-one (PubChem CID 91923719) has the molecular formula C19H27FN2O2 and a molecular weight of 334.43 g/mol. Its IUPAC name is (3R,4S)-4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methoxy-1-propan-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methoxy-1-propan-2-ylazetidin-2-one
PubChem CID91923719
Molecular FormulaC19H27FN2O2
Molecular Weight334.43 g/mol
Exact Mass334.21
IUPAC Name(3R,4S)-4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methoxy-1-propan-2-ylazetidin-2-one
SMILESCO[C@H]1C(=O)N(C(C)C)[C@H]1C1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C19H27FN2O2/c1-13(2)22-17(18(24-3)19(22)23)15-7-9-21(10-8-15)12-14-5-4-6-16(20)11-14/h4-6,11,13,15,17-18H,7-10,12H2,1-3H3/t17-,18+/m0/s1
InChIKeyUHOBXRJHTTZARB-ZWKOTPCHSA-N
XLogP2.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methoxy-1-propan-2-ylazetidin-2-one?
The IUPAC name of (3R,4S)-4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methoxy-1-propan-2-ylazetidin-2-one (CID 91923719) is (3R,4S)-4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methoxy-1-propan-2-ylazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methoxy-1-propan-2-ylazetidin-2-one?
The canonical SMILES for (3R,4S)-4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methoxy-1-propan-2-ylazetidin-2-one is CO[C@H]1C(=O)N(C(C)C)[C@H]1C1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of (3R,4S)-4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methoxy-1-propan-2-ylazetidin-2-one?
The InChIKey is UHOBXRJHTTZARB-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-13(2)22-17(18(24-3)19(22)23)15-7-9-21(10-8-15)12-14-5-4-6-16(20)11-14/h4-6,11,13,15,17-18H,7-10,12H2,1-3H3/t17-,18+/m0/s1.
What are the key properties of (3R,4S)-4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methoxy-1-propan-2-ylazetidin-2-one?
(3R,4S)-4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methoxy-1-propan-2-ylazetidin-2-one has a molecular weight of 334.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methoxy-1-propan-2-ylazetidin-2-one is sourced from PubChem (CID 91923719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).