1-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]-1,4-diazepan-5-one

C15H21N5O3 — CID 136563456

IUPAC1-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]-1,4-diazepan-5-one
SMILESCn1cc(N2CC(C(=O)N3CCNC(=O)CC3)CCC2=O)cn1
InChIInChI=1S/C15H21N5O3/c1-18-10-12(8-17-18)20-9-11(2-3-14(20)22)15(23)19-6-4-13(21)16-5-7-19/h8,10-11H,2-7,9H2,1H3,(H,16,21)
InChIKeyFUHULTIVDRMRSQ-UHFFFAOYSA-N
MW319.37 g/mol
LogP-0.49
Rot. Bonds2

About 1-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]-1,4-diazepan-5-one

1-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]-1,4-diazepan-5-one (PubChem CID 136563456) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]-1,4-diazepan-5-one
PubChem CID136563456
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name1-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]-1,4-diazepan-5-one
SMILESCn1cc(N2CC(C(=O)N3CCNC(=O)CC3)CCC2=O)cn1
InChIInChI=1S/C15H21N5O3/c1-18-10-12(8-17-18)20-9-11(2-3-14(20)22)15(23)19-6-4-13(21)16-5-7-19/h8,10-11H,2-7,9H2,1H3,(H,16,21)
InChIKeyFUHULTIVDRMRSQ-UHFFFAOYSA-N
XLogP-0.49
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-hydroxy-3-(hydroxymethyl)azetidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 136565324
5-[3-(cyclopropylmethyl)-4-oxoimidazolidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 167931670
5-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 136565214
1,3,3-trimethyl-4-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 136564463
1-[1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carbonyl]-1,4-diazepan-5-one
CID 72899093
N-ethyl-1-(1-methylpyrazol-4-yl)-6-oxo-N-pyridin-4-ylpiperidine-3-carboxamide
CID 138026197
methyl (3R)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 125424343
1-(2-methylpiperidine-4-carbonyl)-1,4-diazepan-5-one
CID 106740000
1-(1-methylsulfonylpiperidine-4-carbonyl)-1,4-diazepan-5-one
CID 62045564
1-(3-aminocyclopentanecarbonyl)-1,4-diazepan-5-one
CID 66008813
1-(2-methylpyrazole-3-carbonyl)-1,4-diazepan-5-one
CID 62317121
1-(1-benzylpiperidine-3-carbonyl)-1,4-diazepan-5-one
CID 56821816

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]-1,4-diazepan-5-one?
The IUPAC name of 1-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]-1,4-diazepan-5-one (CID 136563456) is 1-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]-1,4-diazepan-5-one?
The canonical SMILES for 1-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]-1,4-diazepan-5-one is Cn1cc(N2CC(C(=O)N3CCNC(=O)CC3)CCC2=O)cn1.
What is the InChIKey of 1-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]-1,4-diazepan-5-one?
The InChIKey is FUHULTIVDRMRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-18-10-12(8-17-18)20-9-11(2-3-14(20)22)15(23)19-6-4-13(21)16-5-7-19/h8,10-11H,2-7,9H2,1H3,(H,16,21).
What are the key properties of 1-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]-1,4-diazepan-5-one?
1-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]-1,4-diazepan-5-one has a molecular weight of 319.37 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]-1,4-diazepan-5-one is sourced from PubChem (CID 136563456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).