1-[5-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-2-methoxyphenyl]piperidin-2-one

C20H22F2N2O2 — CID 99807501

IUPAC1-[5-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-2-methoxyphenyl]piperidin-2-one
SMILESCOc1ccc(N[C@@H](C)c2c(F)cccc2F)cc1N1CCCCC1=O
InChIInChI=1S/C20H22F2N2O2/c1-13(20-15(21)6-5-7-16(20)22)23-14-9-10-18(26-2)17(12-14)24-11-4-3-8-19(24)25/h5-7,9-10,12-13,23H,3-4,8,11H2,1-2H3/t13-/m0/s1
InChIKeyUDOFWWAGIRIVKE-ZDUSSCGKSA-N
MW360.40 g/mol
LogP4.66
Rot. Bonds5

About 1-[5-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-2-methoxyphenyl]piperidin-2-one

1-[5-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-2-methoxyphenyl]piperidin-2-one (PubChem CID 99807501) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 1-[5-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-2-methoxyphenyl]piperidin-2-one.

Molecular Properties

Compound Name1-[5-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-2-methoxyphenyl]piperidin-2-one
PubChem CID99807501
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name1-[5-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-2-methoxyphenyl]piperidin-2-one
SMILESCOc1ccc(N[C@@H](C)c2c(F)cccc2F)cc1N1CCCCC1=O
InChIInChI=1S/C20H22F2N2O2/c1-13(20-15(21)6-5-7-16(20)22)23-14-9-10-18(26-2)17(12-14)24-11-4-3-8-19(24)25/h5-7,9-10,12-13,23H,3-4,8,11H2,1-2H3/t13-/m0/s1
InChIKeyUDOFWWAGIRIVKE-ZDUSSCGKSA-N
XLogP4.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiourea
CID 43076208
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpropane-1-sulfonamide
CID 7636421
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-phenylthiourea
CID 55685050
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 119724596
3-fluoro-4-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7636048
N-[(1S)-1-(2,6-difluorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylaniline
CID 97020537
2-(2-fluorophenoxy)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7687155
2-(3-chlorophenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 55692123
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-yne-1-sulfonamide
CID 7636079
4-fluoro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylbenzenesulfonamide
CID 7636429
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-(4-methoxyphenyl)thiourea
CID 43076215
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-2-methoxyphenyl]piperidin-2-one?
The IUPAC name of 1-[5-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-2-methoxyphenyl]piperidin-2-one (CID 99807501) is 1-[5-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-2-methoxyphenyl]piperidin-2-one.
What is the SMILES notation for 1-[5-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-2-methoxyphenyl]piperidin-2-one?
The canonical SMILES for 1-[5-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-2-methoxyphenyl]piperidin-2-one is COc1ccc(N[C@@H](C)c2c(F)cccc2F)cc1N1CCCCC1=O.
What is the InChIKey of 1-[5-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-2-methoxyphenyl]piperidin-2-one?
The InChIKey is UDOFWWAGIRIVKE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c1-13(20-15(21)6-5-7-16(20)22)23-14-9-10-18(26-2)17(12-14)24-11-4-3-8-19(24)25/h5-7,9-10,12-13,23H,3-4,8,11H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[5-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-2-methoxyphenyl]piperidin-2-one?
1-[5-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-2-methoxyphenyl]piperidin-2-one has a molecular weight of 360.40 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-2-methoxyphenyl]piperidin-2-one is sourced from PubChem (CID 99807501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).