[(2S)-2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]-phenylmethanone

C23H32N4O2 — CID 95327077

IUPAC[(2S)-2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]-phenylmethanone
SMILESCCc1nnc(CN2CCC([C@@H]3CCCCCN3C(=O)c3ccccc3)CC2)o1
InChIInChI=1S/C23H32N4O2/c1-2-21-24-25-22(29-21)17-26-15-12-18(13-16-26)20-11-7-4-8-14-27(20)23(28)19-9-5-3-6-10-19/h3,5-6,9-10,18,20H,2,4,7-8,11-17H2,1H3/t20-/m0/s1
InChIKeyWNKRMSYTTLUHCP-FQEVSTJZSA-N
MW396.54 g/mol
LogP3.93
Rot. Bonds5

About [(2S)-2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]-phenylmethanone

[(2S)-2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]-phenylmethanone (PubChem CID 95327077) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is [(2S)-2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S)-2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]-phenylmethanone
PubChem CID95327077
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name[(2S)-2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]-phenylmethanone
SMILESCCc1nnc(CN2CCC([C@@H]3CCCCCN3C(=O)c3ccccc3)CC2)o1
InChIInChI=1S/C23H32N4O2/c1-2-21-24-25-22(29-21)17-26-15-12-18(13-16-26)20-11-7-4-8-14-27(20)23(28)19-9-5-3-6-10-19/h3,5-6,9-10,18,20H,2,4,7-8,11-17H2,1H3/t20-/m0/s1
InChIKeyWNKRMSYTTLUHCP-FQEVSTJZSA-N
XLogP3.93
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl-[(2S)-2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
CID 95332947
phenyl-[(2R)-2-piperidin-4-ylazepan-1-yl]methanone
CID 95241507
cyclopropyl-[(2R)-2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
CID 95327970
phenyl-[(2R)-2-(1-quinoxalin-2-ylpiperidin-4-yl)azepan-1-yl]methanone
CID 95346656
2-ethyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 51074717
[(2S)-2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 95591260
2-methoxy-1-[2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]ethanone
CID 56804516
(2R)-2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]-N-propan-2-ylazepane-1-carboxamide
CID 95348571
1-[(2R)-2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]azepan-1-yl]ethanone
CID 95617535
4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)benzoic acid
CID 81360754
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 72932505

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]-phenylmethanone?
The IUPAC name of [(2S)-2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]-phenylmethanone (CID 95327077) is [(2S)-2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]-phenylmethanone.
What is the SMILES notation for [(2S)-2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]-phenylmethanone?
The canonical SMILES for [(2S)-2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]-phenylmethanone is CCc1nnc(CN2CCC([C@@H]3CCCCCN3C(=O)c3ccccc3)CC2)o1.
What is the InChIKey of [(2S)-2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]-phenylmethanone?
The InChIKey is WNKRMSYTTLUHCP-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-2-21-24-25-22(29-21)17-26-15-12-18(13-16-26)20-11-7-4-8-14-27(20)23(28)19-9-5-3-6-10-19/h3,5-6,9-10,18,20H,2,4,7-8,11-17H2,1H3/t20-/m0/s1.
What are the key properties of [(2S)-2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]-phenylmethanone?
[(2S)-2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]-phenylmethanone has a molecular weight of 396.54 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]-phenylmethanone is sourced from PubChem (CID 95327077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).