1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[(1-ethoxy-2-methylpropan-2-yl)amino]ethanone

C20H37N3O3 — CID 126809754

IUPAC1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[(1-ethoxy-2-methylpropan-2-yl)amino]ethanone
SMILESCCOCC(C)(C)NCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C20H37N3O3/c1-4-26-16-20(2,3)21-15-18(24)22-13-9-17(10-14-22)19(25)23-11-7-5-6-8-12-23/h17,21H,4-16H2,1-3H3
InChIKeyMMUBSPTYRZJDAY-UHFFFAOYSA-N
MW367.53 g/mol
LogP2.03
Rot. Bonds7

About 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[(1-ethoxy-2-methylpropan-2-yl)amino]ethanone

1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[(1-ethoxy-2-methylpropan-2-yl)amino]ethanone (PubChem CID 126809754) has the molecular formula C20H37N3O3 and a molecular weight of 367.53 g/mol. Its IUPAC name is 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[(1-ethoxy-2-methylpropan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[(1-ethoxy-2-methylpropan-2-yl)amino]ethanone
PubChem CID126809754
Molecular FormulaC20H37N3O3
Molecular Weight367.53 g/mol
Exact Mass367.28
IUPAC Name1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[(1-ethoxy-2-methylpropan-2-yl)amino]ethanone
SMILESCCOCC(C)(C)NCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C20H37N3O3/c1-4-26-16-20(2,3)21-15-18(24)22-13-9-17(10-14-22)19(25)23-11-7-5-6-8-12-23/h17,21H,4-16H2,1-3H3
InChIKeyMMUBSPTYRZJDAY-UHFFFAOYSA-N
XLogP2.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[(1-ethoxy-2-methylpropan-2-yl)amino]ethanone with MolForge

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Related Compounds

2-ethyl-N-(2-morpholinoethyl)-7-oxo-2-azepanecarboxamide
CID 91908925
(2S)-2-ethyl-N-(2-morpholin-4-ylethyl)-7-oxoazepane-2-carboxamide
CID 99762361
(2S)-N-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-7-oxoazepane-2-carboxamide
CID 125534178
4-[(5-Methylazepan-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 128873641
2-ethyl-N-[(morpholin-4-ylcyclohexyl)methyl]butanamide
CID 16455844
N1-cycloheptyl-N2-((1-(2-methoxyethyl)piperidin-4-yl)methyl)oxalamide
CID 16886702
3-[1-(N-acetyl-L-leucyl)-4-piperidinyl]-N-(2-methoxyethyl)propanamide
CID 42288345
2-acetamido-3-methyl-N-(2-methyl-2-morpholin-4-ylbutyl)butanamide
CID 45884720
Ethyl (7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodec-3-yl)acetate
CID 56748250
4-[(1-Ethylpiperidin-4-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one
CID 20609805
(3S)-3-methyl-2-(methylamino)-N-(2-morpholin-4-ylethyl)pentanamide
CID 46898193
2-(dimethylamino)-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 46899174

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[(1-ethoxy-2-methylpropan-2-yl)amino]ethanone?
The IUPAC name of 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[(1-ethoxy-2-methylpropan-2-yl)amino]ethanone (CID 126809754) is 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[(1-ethoxy-2-methylpropan-2-yl)amino]ethanone.
What is the SMILES notation for 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[(1-ethoxy-2-methylpropan-2-yl)amino]ethanone?
The canonical SMILES for 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[(1-ethoxy-2-methylpropan-2-yl)amino]ethanone is CCOCC(C)(C)NCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1.
What is the InChIKey of 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[(1-ethoxy-2-methylpropan-2-yl)amino]ethanone?
The InChIKey is MMUBSPTYRZJDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O3/c1-4-26-16-20(2,3)21-15-18(24)22-13-9-17(10-14-22)19(25)23-11-7-5-6-8-12-23/h17,21H,4-16H2,1-3H3.
What are the key properties of 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[(1-ethoxy-2-methylpropan-2-yl)amino]ethanone?
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[(1-ethoxy-2-methylpropan-2-yl)amino]ethanone has a molecular weight of 367.53 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[(1-ethoxy-2-methylpropan-2-yl)amino]ethanone is sourced from PubChem (CID 126809754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).