N-methyl-N-(1-methylpiperidin-4-yl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide

C23H31N5O — CID 30866584

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCN1CCC(N(C)C(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)CC1
InChIInChI=1S/C23H31N5O/c1-26-14-12-20(13-15-26)27(2)23(29)19-10-16-28(17-11-19)22-9-8-21(24-25-22)18-6-4-3-5-7-18/h3-9,19-20H,10-17H2,1-2H3
InChIKeyGMZPTCJOJZFWKI-UHFFFAOYSA-N
MW393.54 g/mol
LogP2.91
Rot. Bonds4

About N-methyl-N-(1-methylpiperidin-4-yl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide

N-methyl-N-(1-methylpiperidin-4-yl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 30866584) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID30866584
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCN1CCC(N(C)C(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)CC1
InChIInChI=1S/C23H31N5O/c1-26-14-12-20(13-15-26)27(2)23(29)19-10-16-28(17-11-19)22-9-8-21(24-25-22)18-6-4-3-5-7-18/h3-9,19-20H,10-17H2,1-2H3
InChIKeyGMZPTCJOJZFWKI-UHFFFAOYSA-N
XLogP2.91
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-(1-methylpiperidin-4-yl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide (CID 30866584) is N-methyl-N-(1-methylpiperidin-4-yl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide is CN1CCC(N(C)C(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is GMZPTCJOJZFWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-26-14-12-20(13-15-26)27(2)23(29)19-10-16-28(17-11-19)22-9-8-21(24-25-22)18-6-4-3-5-7-18/h3-9,19-20H,10-17H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide?
N-methyl-N-(1-methylpiperidin-4-yl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 393.54 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30866584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).