azepan-1-yl-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methanone

C15H28N2O2 — CID 95303067

IUPACazepan-1-yl-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methanone
SMILESCOCCN1CCC[C@H](C(=O)N2CCCCCC2)C1
InChIInChI=1S/C15H28N2O2/c1-19-12-11-16-8-6-7-14(13-16)15(18)17-9-4-2-3-5-10-17/h14H,2-13H2,1H3/t14-/m0/s1
InChIKeyCCNBEDWZFVNWKV-AWEZNQCLSA-N
MW268.40 g/mol
LogP1.75
Rot. Bonds4

About azepan-1-yl-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methanone

azepan-1-yl-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methanone (PubChem CID 95303067) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is azepan-1-yl-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methanone
PubChem CID95303067
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameazepan-1-yl-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methanone
SMILESCOCCN1CCC[C@H](C(=O)N2CCCCCC2)C1
InChIInChI=1S/C15H28N2O2/c1-19-12-11-16-8-6-7-14(13-16)15(18)17-9-4-2-3-5-10-17/h14H,2-13H2,1H3/t14-/m0/s1
InChIKeyCCNBEDWZFVNWKV-AWEZNQCLSA-N
XLogP1.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methanone?
The IUPAC name of azepan-1-yl-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methanone (CID 95303067) is azepan-1-yl-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methanone.
What is the SMILES notation for azepan-1-yl-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methanone?
The canonical SMILES for azepan-1-yl-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methanone is COCCN1CCC[C@H](C(=O)N2CCCCCC2)C1.
What is the InChIKey of azepan-1-yl-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methanone?
The InChIKey is CCNBEDWZFVNWKV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-19-12-11-16-8-6-7-14(13-16)15(18)17-9-4-2-3-5-10-17/h14H,2-13H2,1H3/t14-/m0/s1.
What are the key properties of azepan-1-yl-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methanone?
azepan-1-yl-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methanone has a molecular weight of 268.40 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 95303067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).