[(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone

C14H25NO2 — CID 95627899

IUPAC[(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone
SMILESCC(C)[C@H]1CCCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C14H25NO2/c1-11(2)12-5-3-8-15(9-7-12)14(16)13-6-4-10-17-13/h11-13H,3-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyYKLZPNIUYQIPBG-STQMWFEESA-N
MW239.36 g/mol
LogP2.45
Rot. Bonds2

About [(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone

[(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone (PubChem CID 95627899) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone
PubChem CID95627899
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name[(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone
SMILESCC(C)[C@H]1CCCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C14H25NO2/c1-11(2)12-5-3-8-15(9-7-12)14(16)13-6-4-10-17-13/h11-13H,3-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyYKLZPNIUYQIPBG-STQMWFEESA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1-bromoethyl)piperidin-1-yl]-(oxan-2-yl)methanone
CID 106839160
3-[1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]butanoic acid
CID 104855870
[3-(methylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 104856209
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
(3-methylpiperidin-1-yl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 113005814
azepan-1-yl(oxan-2-yl)methanone
CID 64592467
2-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]propanoic acid
CID 104892399
[(3R)-3-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 143794584
[3-(methylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 104856430
1-[4-[1-(oxolane-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 113003827
[1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid
CID 156534121
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796627

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone?
The IUPAC name of [(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone (CID 95627899) is [(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone.
What is the SMILES notation for [(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone?
The canonical SMILES for [(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone is CC(C)[C@H]1CCCN(C(=O)[C@@H]2CCCO2)CC1.
What is the InChIKey of [(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone?
The InChIKey is YKLZPNIUYQIPBG-STQMWFEESA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(2)12-5-3-8-15(9-7-12)14(16)13-6-4-10-17-13/h11-13H,3-10H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone?
[(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone has a molecular weight of 239.36 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone is sourced from PubChem (CID 95627899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).