1-[1-[4-[(1-methylpyrazol-4-yl)methylamino]benzoyl]piperidin-4-yl]-1,3-diazinan-2-one

C21H28N6O2 — CID 166253197

IUPAC1-[1-[4-[(1-methylpyrazol-4-yl)methylamino]benzoyl]piperidin-4-yl]-1,3-diazinan-2-one
SMILESCn1cc(CNc2ccc(C(=O)N3CCC(N4CCCNC4=O)CC3)cc2)cn1
InChIInChI=1S/C21H28N6O2/c1-25-15-16(14-24-25)13-23-18-5-3-17(4-6-18)20(28)26-11-7-19(8-12-26)27-10-2-9-22-21(27)29/h3-6,14-15,19,23H,2,7-13H2,1H3,(H,22,29)
InChIKeyVHDGHTQVNFUYQG-UHFFFAOYSA-N
MW396.50 g/mol
LogP2.05
Rot. Bonds5

About 1-[1-[4-[(1-methylpyrazol-4-yl)methylamino]benzoyl]piperidin-4-yl]-1,3-diazinan-2-one

1-[1-[4-[(1-methylpyrazol-4-yl)methylamino]benzoyl]piperidin-4-yl]-1,3-diazinan-2-one (PubChem CID 166253197) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 1-[1-[4-[(1-methylpyrazol-4-yl)methylamino]benzoyl]piperidin-4-yl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[1-[4-[(1-methylpyrazol-4-yl)methylamino]benzoyl]piperidin-4-yl]-1,3-diazinan-2-one
PubChem CID166253197
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name1-[1-[4-[(1-methylpyrazol-4-yl)methylamino]benzoyl]piperidin-4-yl]-1,3-diazinan-2-one
SMILESCn1cc(CNc2ccc(C(=O)N3CCC(N4CCCNC4=O)CC3)cc2)cn1
InChIInChI=1S/C21H28N6O2/c1-25-15-16(14-24-25)13-23-18-5-3-17(4-6-18)20(28)26-11-7-19(8-12-26)27-10-2-9-22-21(27)29/h3-6,14-15,19,23H,2,7-13H2,1H3,(H,22,29)
InChIKeyVHDGHTQVNFUYQG-UHFFFAOYSA-N
XLogP2.05
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-[4-[(1-methylpyrazol-4-yl)methylamino]benzoyl]piperidin-4-yl]-1,3-diazinan-2-one 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-[1-[4-(pyridin-4-ylmethylamino)benzoyl]piperidin-4-yl]pyrrolidin-2-one
CID 56880689
1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one
CID 134793694
1-[1-(4-methoxybenzoyl)piperidin-4-yl]imidazolidin-2-one
CID 134790027
1-[1-(3-methoxybenzoyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 134794616
1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 139000199
1-[1-(1-benzothiophene-5-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 136516942
N-(4-chlorophenyl)-4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxamide
CID 134793891
1-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]imidazolidin-2-one
CID 48661370
1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 71912055
N-[(2R)-butan-2-yl]-4-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 51965937
N-[(1-methylpyrazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline
CID 43231929
3-(1-methylpyrazol-4-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 51087989

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[(1-methylpyrazol-4-yl)methylamino]benzoyl]piperidin-4-yl]-1,3-diazinan-2-one?
The IUPAC name of 1-[1-[4-[(1-methylpyrazol-4-yl)methylamino]benzoyl]piperidin-4-yl]-1,3-diazinan-2-one (CID 166253197) is 1-[1-[4-[(1-methylpyrazol-4-yl)methylamino]benzoyl]piperidin-4-yl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[1-[4-[(1-methylpyrazol-4-yl)methylamino]benzoyl]piperidin-4-yl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[1-[4-[(1-methylpyrazol-4-yl)methylamino]benzoyl]piperidin-4-yl]-1,3-diazinan-2-one is Cn1cc(CNc2ccc(C(=O)N3CCC(N4CCCNC4=O)CC3)cc2)cn1.
What is the InChIKey of 1-[1-[4-[(1-methylpyrazol-4-yl)methylamino]benzoyl]piperidin-4-yl]-1,3-diazinan-2-one?
The InChIKey is VHDGHTQVNFUYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-25-15-16(14-24-25)13-23-18-5-3-17(4-6-18)20(28)26-11-7-19(8-12-26)27-10-2-9-22-21(27)29/h3-6,14-15,19,23H,2,7-13H2,1H3,(H,22,29).
What are the key properties of 1-[1-[4-[(1-methylpyrazol-4-yl)methylamino]benzoyl]piperidin-4-yl]-1,3-diazinan-2-one?
1-[1-[4-[(1-methylpyrazol-4-yl)methylamino]benzoyl]piperidin-4-yl]-1,3-diazinan-2-one has a molecular weight of 396.50 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[(1-methylpyrazol-4-yl)methylamino]benzoyl]piperidin-4-yl]-1,3-diazinan-2-one is sourced from PubChem (CID 166253197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).