3-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]piperidin-2-one

C14H25N3O2 — CID 62093429

IUPAC3-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]piperidin-2-one
SMILESCC(NC1CCCNC1=O)C(=O)N1CCCCCC1
InChIInChI=1S/C14H25N3O2/c1-11(16-12-7-6-8-15-13(12)18)14(19)17-9-4-2-3-5-10-17/h11-12,16H,2-10H2,1H3,(H,15,18)
InChIKeyWZYXXDUJOJESSH-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.65
Rot. Bonds3

About 3-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]piperidin-2-one

3-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]piperidin-2-one (PubChem CID 62093429) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name3-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]piperidin-2-one
PubChem CID62093429
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]piperidin-2-one
SMILESCC(NC1CCCNC1=O)C(=O)N1CCCCCC1
InChIInChI=1S/C14H25N3O2/c1-11(16-12-7-6-8-15-13(12)18)14(19)17-9-4-2-3-5-10-17/h11-12,16H,2-10H2,1H3,(H,15,18)
InChIKeyWZYXXDUJOJESSH-UHFFFAOYSA-N
XLogP0.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-oxoazepan-3-yl)amino]propanamide
CID 43420603
3-(1-cyclopropylethylamino)piperidin-2-one
CID 62092290
1-piperidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one
CID 79730724
2-(cyclopentylamino)-1-piperidin-1-ylpropan-1-one
CID 43083612
2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43236389
1-(azepan-1-yl)-2-(cyclopentylamino)propan-1-one
CID 43087090
(3R)-1-[(2-oxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120603
3-(pentan-2-ylamino)piperidin-2-one
CID 62092466
1-pyrrolidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one
CID 115880387
(2S)-2-hydroxy-N-(2-oxopiperidin-3-yl)propanamide
CID 130978731
3-(but-3-yn-2-ylamino)azepan-2-one
CID 114416732
1-piperidin-1-yl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propan-1-one
CID 62841964

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]piperidin-2-one?
The IUPAC name of 3-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]piperidin-2-one (CID 62093429) is 3-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]piperidin-2-one.
What is the SMILES notation for 3-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]piperidin-2-one?
The canonical SMILES for 3-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]piperidin-2-one is CC(NC1CCCNC1=O)C(=O)N1CCCCCC1.
What is the InChIKey of 3-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]piperidin-2-one?
The InChIKey is WZYXXDUJOJESSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11(16-12-7-6-8-15-13(12)18)14(19)17-9-4-2-3-5-10-17/h11-12,16H,2-10H2,1H3,(H,15,18).
What are the key properties of 3-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]piperidin-2-one?
3-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]piperidin-2-one has a molecular weight of 267.37 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]piperidin-2-one is sourced from PubChem (CID 62093429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).