(3R)-N-(cyclohexylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide

C23H37N5O — CID 92889715

IUPAC(3R)-N-(cyclohexylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCC1CCN(c2ccc(N3CCC[C@@H](C(=O)NCC4CCCCC4)C3)nn2)CC1
InChIInChI=1S/C23H37N5O/c1-18-11-14-27(15-12-18)21-9-10-22(26-25-21)28-13-5-8-20(17-28)23(29)24-16-19-6-3-2-4-7-19/h9-10,18-20H,2-8,11-17H2,1H3,(H,24,29)/t20-/m1/s1
InChIKeyRGULBPZTDYTCPO-HXUWFJFHSA-N
MW399.58 g/mol
LogP3.63
Rot. Bonds5

About (3R)-N-(cyclohexylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide

(3R)-N-(cyclohexylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 92889715) has the molecular formula C23H37N5O and a molecular weight of 399.58 g/mol. Its IUPAC name is (3R)-N-(cyclohexylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(cyclohexylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
PubChem CID92889715
Molecular FormulaC23H37N5O
Molecular Weight399.58 g/mol
Exact Mass399.30
IUPAC Name(3R)-N-(cyclohexylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCC1CCN(c2ccc(N3CCC[C@@H](C(=O)NCC4CCCCC4)C3)nn2)CC1
InChIInChI=1S/C23H37N5O/c1-18-11-14-27(15-12-18)21-9-10-22(26-25-21)28-13-5-8-20(17-28)23(29)24-16-19-6-3-2-4-7-19/h9-10,18-20H,2-8,11-17H2,1H3,(H,24,29)/t20-/m1/s1
InChIKeyRGULBPZTDYTCPO-HXUWFJFHSA-N
XLogP3.63
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-(cyclohexylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

2-cyclohexyl-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053451
N-(cyclobutylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 141463742
1-(6-methylpyridazin-3-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
CID 121118673
N-[(4-fluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118477
(3R)-N-(3-methoxypropyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 97265102
(3S)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 98746052
N-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118608
N-[(4-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 50785732
(3S)-1-(6-chloropyridazin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 51983369
N-(cyclopentylmethyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 55612567
N-[(2,6-difluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118700
methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(cyclohexylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(cyclohexylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (CID 92889715) is (3R)-N-(cyclohexylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(cyclohexylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(cyclohexylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is CC1CCN(c2ccc(N3CCC[C@@H](C(=O)NCC4CCCCC4)C3)nn2)CC1.
What is the InChIKey of (3R)-N-(cyclohexylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is RGULBPZTDYTCPO-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H37N5O/c1-18-11-14-27(15-12-18)21-9-10-22(26-25-21)28-13-5-8-20(17-28)23(29)24-16-19-6-3-2-4-7-19/h9-10,18-20H,2-8,11-17H2,1H3,(H,24,29)/t20-/m1/s1.
What are the key properties of (3R)-N-(cyclohexylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
(3R)-N-(cyclohexylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 399.58 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(cyclohexylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 92889715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).