1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-methoxypropan-2-ylamino)ethanone

C18H33N3O3 — CID 126807670

IUPAC1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-methoxypropan-2-ylamino)ethanone
SMILESCOCC(C)NCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C18H33N3O3/c1-15(14-24-2)19-13-17(22)20-11-7-16(8-12-20)18(23)21-9-5-3-4-6-10-21/h15-16,19H,3-14H2,1-2H3
InChIKeyGDSMXBXBCNMRMU-UHFFFAOYSA-N
MW339.48 g/mol
LogP1.25
Rot. Bonds6

About 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-methoxypropan-2-ylamino)ethanone

1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-methoxypropan-2-ylamino)ethanone (PubChem CID 126807670) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-methoxypropan-2-ylamino)ethanone.

Molecular Properties

Compound Name1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-methoxypropan-2-ylamino)ethanone
PubChem CID126807670
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-methoxypropan-2-ylamino)ethanone
SMILESCOCC(C)NCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C18H33N3O3/c1-15(14-24-2)19-13-17(22)20-11-7-16(8-12-20)18(23)21-9-5-3-4-6-10-21/h15-16,19H,3-14H2,1-2H3
InChIKeyGDSMXBXBCNMRMU-UHFFFAOYSA-N
XLogP1.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-methoxypropan-2-ylamino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
2-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 126806340
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020
3-methoxy-2-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 103262728
2-[1-(dimethylamino)propan-2-ylamino]-1-piperidin-1-ylethanone
CID 82938717
tert-butyl 4-[2-(1-methoxypropan-2-ylamino)acetyl]piperazine-1-carboxylate
CID 103711034
(2S)-2-[[2-(azocan-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194502
1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone
CID 43179556
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 106159700
2-cyclohexyloxy-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 87000800
2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 83176699
2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 43372218

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-methoxypropan-2-ylamino)ethanone?
The IUPAC name of 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-methoxypropan-2-ylamino)ethanone (CID 126807670) is 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-methoxypropan-2-ylamino)ethanone.
What is the SMILES notation for 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-methoxypropan-2-ylamino)ethanone?
The canonical SMILES for 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-methoxypropan-2-ylamino)ethanone is COCC(C)NCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1.
What is the InChIKey of 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-methoxypropan-2-ylamino)ethanone?
The InChIKey is GDSMXBXBCNMRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-15(14-24-2)19-13-17(22)20-11-7-16(8-12-20)18(23)21-9-5-3-4-6-10-21/h15-16,19H,3-14H2,1-2H3.
What are the key properties of 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-methoxypropan-2-ylamino)ethanone?
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-methoxypropan-2-ylamino)ethanone has a molecular weight of 339.48 g/mol, XLogP of 1.25, 6 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-methoxypropan-2-ylamino)ethanone is sourced from PubChem (CID 126807670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).