(3S)-N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide

C16H26N4O3 — CID 95115533

IUPAC(3S)-N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
SMILESCCOCCCNC(=O)[C@H]1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C16H26N4O3/c1-3-23-9-5-7-17-16(22)13-6-4-8-20(12-13)14-10-15(21)19(2)18-11-14/h10-11,13H,3-9,12H2,1-2H3,(H,17,22)/t13-/m0/s1
InChIKeyBGUZNQRADOHRFF-ZDUSSCGKSA-N
MW322.41 g/mol
LogP0.54
Rot. Bonds7

About (3S)-N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide

(3S)-N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide (PubChem CID 95115533) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is (3S)-N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
PubChem CID95115533
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name(3S)-N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
SMILESCCOCCCNC(=O)[C@H]1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C16H26N4O3/c1-3-23-9-5-7-17-16(22)13-6-4-8-20(12-13)14-10-15(21)19(2)18-11-14/h10-11,13H,3-9,12H2,1-2H3,(H,17,22)/t13-/m0/s1
InChIKeyBGUZNQRADOHRFF-ZDUSSCGKSA-N
XLogP0.54
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203909
1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 53203964
1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 53203905
(3S)-1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 95115628
N-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3309931
(3S)-1-(1-methyl-6-oxopyridazin-4-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 95115690
(3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115704
(3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide
CID 99970155
(3R)-N-[[4-(diethylamino)phenyl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115712
(3S)-N-(3-ethoxypropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085829
1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 53203951
(3R)-N-(4-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115576

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide (CID 95115533) is (3S)-N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide is CCOCCCNC(=O)[C@H]1CCCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of (3S)-N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The InChIKey is BGUZNQRADOHRFF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-3-23-9-5-7-17-16(22)13-6-4-8-20(12-13)14-10-15(21)19(2)18-11-14/h10-11,13H,3-9,12H2,1-2H3,(H,17,22)/t13-/m0/s1.
What are the key properties of (3S)-N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
(3S)-N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 0.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95115533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).