1-(1-benzyl-6-oxopyridazin-4-yl)-N-methyl-N-propylpiperidine-4-carboxamide

C21H28N4O2 — CID 53202279

IUPAC1-(1-benzyl-6-oxopyridazin-4-yl)-N-methyl-N-propylpiperidine-4-carboxamide
SMILESCCCN(C)C(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1
InChIInChI=1S/C21H28N4O2/c1-3-11-23(2)21(27)18-9-12-24(13-10-18)19-14-20(26)25(22-15-19)16-17-7-5-4-6-8-17/h4-8,14-15,18H,3,9-13,16H2,1-2H3
InChIKeyDJXYOQVRLSCAAM-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.38
Rot. Bonds6

About 1-(1-benzyl-6-oxopyridazin-4-yl)-N-methyl-N-propylpiperidine-4-carboxamide

1-(1-benzyl-6-oxopyridazin-4-yl)-N-methyl-N-propylpiperidine-4-carboxamide (PubChem CID 53202279) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-(1-benzyl-6-oxopyridazin-4-yl)-N-methyl-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-benzyl-6-oxopyridazin-4-yl)-N-methyl-N-propylpiperidine-4-carboxamide
PubChem CID53202279
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-(1-benzyl-6-oxopyridazin-4-yl)-N-methyl-N-propylpiperidine-4-carboxamide
SMILESCCCN(C)C(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1
InChIInChI=1S/C21H28N4O2/c1-3-11-23(2)21(27)18-9-12-24(13-10-18)19-14-20(26)25(22-15-19)16-17-7-5-4-6-8-17/h4-8,14-15,18H,3,9-13,16H2,1-2H3
InChIKeyDJXYOQVRLSCAAM-UHFFFAOYSA-N
XLogP2.38
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-Phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone
CID 122703578
1-[4-(3-Phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]propan-1-one
CID 122703671
1-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]ethanone
CID 124086061
(1-Methylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 155393270
2-methyl-6-phenyl-5-piperidino-3(2H)-pyridazinone
CID 1472493
2-benzyl-6-phenyl-5-piperidino-3(2H)-pyridazinone
CID 1472478
4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-propan-2-yl-1H-pyridazin-6-one
CID 138472065
5-cyclopropyl-4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 138483659
N-[(3,5-Difluorophenyl)methyl]-2-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]acetamide
CID 91907033
4-Methyl-5-[4-[(2-methylphenyl)methyl]-3-oxo-1-piperazinyl]-3(2H)-pyridazinone
CID 138472270
N-Benzyl-2-{1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-3-YL}acetamide
CID 91907138
2-allyl-6-phenyl-5-piperidino-3(2H)-pyridazinone
CID 1472488

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-methyl-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-methyl-N-propylpiperidine-4-carboxamide (CID 53202279) is 1-(1-benzyl-6-oxopyridazin-4-yl)-N-methyl-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(1-benzyl-6-oxopyridazin-4-yl)-N-methyl-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-(1-benzyl-6-oxopyridazin-4-yl)-N-methyl-N-propylpiperidine-4-carboxamide is CCCN(C)C(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1.
What is the InChIKey of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-methyl-N-propylpiperidine-4-carboxamide?
The InChIKey is DJXYOQVRLSCAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-3-11-23(2)21(27)18-9-12-24(13-10-18)19-14-20(26)25(22-15-19)16-17-7-5-4-6-8-17/h4-8,14-15,18H,3,9-13,16H2,1-2H3.
What are the key properties of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-methyl-N-propylpiperidine-4-carboxamide?
1-(1-benzyl-6-oxopyridazin-4-yl)-N-methyl-N-propylpiperidine-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-6-oxopyridazin-4-yl)-N-methyl-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 53202279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).