1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one

C25H30FN3O2 — CID 56514828

IUPAC1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
SMILESO=C(C(c1ccccc1)N1CCCCC1=O)N1CCCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C25H30FN3O2/c26-22-12-10-20(11-13-22)19-27-14-6-15-28(18-17-27)25(31)24(21-7-2-1-3-8-21)29-16-5-4-9-23(29)30/h1-3,7-8,10-13,24H,4-6,9,14-19H2
InChIKeyVGOQDDCMPCJPPT-UHFFFAOYSA-N
MW423.53 g/mol
LogP3.61
Rot. Bonds5

About 1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one

1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one (PubChem CID 56514828) has the molecular formula C25H30FN3O2 and a molecular weight of 423.53 g/mol. Its IUPAC name is 1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
PubChem CID56514828
Molecular FormulaC25H30FN3O2
Molecular Weight423.53 g/mol
Exact Mass423.23
IUPAC Name1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
SMILESO=C(C(c1ccccc1)N1CCCCC1=O)N1CCCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C25H30FN3O2/c26-22-12-10-20(11-13-22)19-27-14-6-15-28(18-17-27)25(31)24(21-7-2-1-3-8-21)29-16-5-4-9-23(29)30/h1-3,7-8,10-13,24H,4-6,9,14-19H2
InChIKeyVGOQDDCMPCJPPT-UHFFFAOYSA-N
XLogP3.61
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one with MolForge

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Related Compounds

1-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56504647
(3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid
CID 99638802
1-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56514843
N,N-diethyl-4-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperazine-1-sulfonamide
CID 56516350
1-[2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56504681
1-[2-oxo-1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]piperidin-2-one
CID 56515315
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 56513814
N-[(1-benzylpiperidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56506504
1-[4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 23907830
2-amino-1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 119838939
1-[2-(3-methoxypiperidin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one
CID 75420204
1-[2-oxo-1-phenyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one
CID 56577826

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one?
The IUPAC name of 1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one (CID 56514828) is 1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one is O=C(C(c1ccccc1)N1CCCCC1=O)N1CCCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one?
The InChIKey is VGOQDDCMPCJPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2/c26-22-12-10-20(11-13-22)19-27-14-6-15-28(18-17-27)25(31)24(21-7-2-1-3-8-21)29-16-5-4-9-23(29)30/h1-3,7-8,10-13,24H,4-6,9,14-19H2.
What are the key properties of 1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one?
1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one has a molecular weight of 423.53 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one is sourced from PubChem (CID 56514828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).