5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one

C12H21N3O2 — CID 112729081

IUPAC5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one
SMILESCN1CCCN(C(=O)C2CCC(=O)NC2)CC1
InChIInChI=1S/C12H21N3O2/c1-14-5-2-6-15(8-7-14)12(17)10-3-4-11(16)13-9-10/h10H,2-9H2,1H3,(H,13,16)
InChIKeyKZOMLNRSOZRMEB-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.32
Rot. Bonds1

About 5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one

5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one (PubChem CID 112729081) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one
PubChem CID112729081
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one
SMILESCN1CCCN(C(=O)C2CCC(=O)NC2)CC1
InChIInChI=1S/C12H21N3O2/c1-14-5-2-6-15(8-7-14)12(17)10-3-4-11(16)13-9-10/h10H,2-9H2,1H3,(H,13,16)
InChIKeyKZOMLNRSOZRMEB-UHFFFAOYSA-N
XLogP-0.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(azepane-1-carbonyl)piperidin-2-one
CID 112728735
5-(azocane-1-carbonyl)piperidin-2-one
CID 112728799
2-[4-(6-oxopiperidine-3-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 83193169
5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidin-2-one
CID 78928154
5-(4-pent-4-enoyl-1,4-diazepane-1-carbonyl)piperidin-2-one
CID 135090162
4-(6-oxopiperidine-3-carbonyl)piperazine-1-sulfonamide
CID 78954698
4-(4-propanoyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 78983335
5-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]piperidin-2-one
CID 122333843
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-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-diazepane-1-carbonyl]piperidin-2-one
CID 134703056
5-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)piperidin-2-one
CID 76986559

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one?
The IUPAC name of 5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one (CID 112729081) is 5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one?
The canonical SMILES for 5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one is CN1CCCN(C(=O)C2CCC(=O)NC2)CC1.
What is the InChIKey of 5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one?
The InChIKey is KZOMLNRSOZRMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-14-5-2-6-15(8-7-14)12(17)10-3-4-11(16)13-9-10/h10H,2-9H2,1H3,(H,13,16).
What are the key properties of 5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one?
5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one has a molecular weight of 239.32 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 112729081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).