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

C16H26N4O2 — CID 95316835

IUPACazepan-1-yl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone
SMILESCc1nc(CN2CCC[C@H](C(=O)N3CCCCCC3)C2)no1
InChIInChI=1S/C16H26N4O2/c1-13-17-15(18-22-13)12-19-8-6-7-14(11-19)16(21)20-9-4-2-3-5-10-20/h14H,2-12H2,1H3/t14-/m0/s1
InChIKeyPFXGKQWVUFCKJC-AWEZNQCLSA-N
MW306.41 g/mol
LogP1.99
Rot. Bonds3

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

azepan-1-yl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone (PubChem CID 95316835) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is azepan-1-yl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone
PubChem CID95316835
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Nameazepan-1-yl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone
SMILESCc1nc(CN2CCC[C@H](C(=O)N3CCCCCC3)C2)no1
InChIInChI=1S/C16H26N4O2/c1-13-17-15(18-22-13)12-19-8-6-7-14(11-19)16(21)20-9-4-2-3-5-10-20/h14H,2-12H2,1H3/t14-/m0/s1
InChIKeyPFXGKQWVUFCKJC-AWEZNQCLSA-N
XLogP1.99
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 97277137
[(3R)-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95559782
azepan-1-yl-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 56825800
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 43930303
3-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]butanoic acid
CID 81046675
morpholin-4-yl-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 56706828
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 43930302
[1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 2930824
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 55256456
N-methyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
CID 61205541
ethyl 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxylate
CID 61357063
(3R)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 106420517

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone?
The IUPAC name of azepan-1-yl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone (CID 95316835) is azepan-1-yl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for azepan-1-yl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for azepan-1-yl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone is Cc1nc(CN2CCC[C@H](C(=O)N3CCCCCC3)C2)no1.
What is the InChIKey of azepan-1-yl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone?
The InChIKey is PFXGKQWVUFCKJC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-13-17-15(18-22-13)12-19-8-6-7-14(11-19)16(21)20-9-4-2-3-5-10-20/h14H,2-12H2,1H3/t14-/m0/s1.
What are the key properties of azepan-1-yl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone?
azepan-1-yl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone has a molecular weight of 306.41 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 95316835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).