5-(azepane-1-carbonyl)piperidin-2-one

C12H20N2O2 — CID 112728735

IUPAC5-(azepane-1-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCCCC2)CN1
InChIInChI=1S/C12H20N2O2/c15-11-6-5-10(9-13-11)12(16)14-7-3-1-2-4-8-14/h10H,1-9H2,(H,13,15)
InChIKeyQASOODZGWHUNQA-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.92
Rot. Bonds1

About 5-(azepane-1-carbonyl)piperidin-2-one

5-(azepane-1-carbonyl)piperidin-2-one (PubChem CID 112728735) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-(azepane-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name5-(azepane-1-carbonyl)piperidin-2-one
PubChem CID112728735
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name5-(azepane-1-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCCCC2)CN1
InChIInChI=1S/C12H20N2O2/c15-11-6-5-10(9-13-11)12(16)14-7-3-1-2-4-8-14/h10H,1-9H2,(H,13,15)
InChIKeyQASOODZGWHUNQA-UHFFFAOYSA-N
XLogP0.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(azocane-1-carbonyl)piperidin-2-one
CID 112728799
5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one
CID 112729081
5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidin-2-one
CID 78928154
2-[4-(6-oxopiperidine-3-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 83193169
5-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-2-one
CID 81470340
4-(6-oxopiperidine-3-carbonyl)piperazine-1-sulfonamide
CID 78954698
5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]piperidin-2-one
CID 103745537
5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]piperidin-2-one
CID 112732285
5-[3-(methylamino)piperidine-1-carbonyl]piperidin-2-one;hydrochloride
CID 119492394
5-(4-pent-4-enoyl-1,4-diazepane-1-carbonyl)piperidin-2-one
CID 135090162
5-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)piperidin-2-one
CID 76986559
5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-2-one
CID 81483173

Frequently Asked Questions

What is the IUPAC name of 5-(azepane-1-carbonyl)piperidin-2-one?
The IUPAC name of 5-(azepane-1-carbonyl)piperidin-2-one (CID 112728735) is 5-(azepane-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 5-(azepane-1-carbonyl)piperidin-2-one?
The canonical SMILES for 5-(azepane-1-carbonyl)piperidin-2-one is O=C1CCC(C(=O)N2CCCCCC2)CN1.
What is the InChIKey of 5-(azepane-1-carbonyl)piperidin-2-one?
The InChIKey is QASOODZGWHUNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-11-6-5-10(9-13-11)12(16)14-7-3-1-2-4-8-14/h10H,1-9H2,(H,13,15).
What are the key properties of 5-(azepane-1-carbonyl)piperidin-2-one?
5-(azepane-1-carbonyl)piperidin-2-one has a molecular weight of 224.30 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepane-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 112728735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).