2-methoxy-1-[4-(oxepan-4-ylamino)piperidin-1-yl]ethanone

C14H26N2O3 — CID 65082207

IUPAC2-methoxy-1-[4-(oxepan-4-ylamino)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(NC2CCCOCC2)CC1
InChIInChI=1S/C14H26N2O3/c1-18-11-14(17)16-7-4-13(5-8-16)15-12-3-2-9-19-10-6-12/h12-13,15H,2-11H2,1H3
InChIKeyAOAUCSSESYNXRP-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.78
Rot. Bonds4

About 2-methoxy-1-[4-(oxepan-4-ylamino)piperidin-1-yl]ethanone

2-methoxy-1-[4-(oxepan-4-ylamino)piperidin-1-yl]ethanone (PubChem CID 65082207) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-methoxy-1-[4-(oxepan-4-ylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(oxepan-4-ylamino)piperidin-1-yl]ethanone
PubChem CID65082207
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-methoxy-1-[4-(oxepan-4-ylamino)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(NC2CCCOCC2)CC1
InChIInChI=1S/C14H26N2O3/c1-18-11-14(17)16-7-4-13(5-8-16)15-12-3-2-9-19-10-6-12/h12-13,15H,2-11H2,1H3
InChIKeyAOAUCSSESYNXRP-UHFFFAOYSA-N
XLogP0.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-[4-[(3-methylcyclohexyl)amino]piperidin-1-yl]ethanone
CID 43747559
2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone
CID 43747632
2-methoxy-1-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]ethanone
CID 43791436
2-methoxy-1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]piperidin-1-yl]ethanone
CID 79911379
2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone
CID 94150662
1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone
CID 61325359
1-[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-2-methoxyethanone
CID 155998358
2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 63681407
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 43711839
2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone
CID 43747506
3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 112549732
1-[4-(1-aminopropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone
CID 103388974

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(oxepan-4-ylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-(oxepan-4-ylamino)piperidin-1-yl]ethanone (CID 65082207) is 2-methoxy-1-[4-(oxepan-4-ylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-(oxepan-4-ylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-(oxepan-4-ylamino)piperidin-1-yl]ethanone is COCC(=O)N1CCC(NC2CCCOCC2)CC1.
What is the InChIKey of 2-methoxy-1-[4-(oxepan-4-ylamino)piperidin-1-yl]ethanone?
The InChIKey is AOAUCSSESYNXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-18-11-14(17)16-7-4-13(5-8-16)15-12-3-2-9-19-10-6-12/h12-13,15H,2-11H2,1H3.
What are the key properties of 2-methoxy-1-[4-(oxepan-4-ylamino)piperidin-1-yl]ethanone?
2-methoxy-1-[4-(oxepan-4-ylamino)piperidin-1-yl]ethanone has a molecular weight of 270.37 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(oxepan-4-ylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 65082207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).