N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

C22H32N6O2 — CID 50771986

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1noc(C)c1CCNC(=O)C1CCN(c2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C22H32N6O2/c1-16-19(17(2)30-26-16)8-11-23-22(29)18-9-14-28(15-10-18)21-7-6-20(24-25-21)27-12-4-3-5-13-27/h6-7,18H,3-5,8-15H2,1-2H3,(H,23,29)
InChIKeyAPDSNLGKNQQWCZ-UHFFFAOYSA-N
MW412.54 g/mol
LogP2.65
Rot. Bonds6

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 50771986) has the molecular formula C22H32N6O2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID50771986
Molecular FormulaC22H32N6O2
Molecular Weight412.54 g/mol
Exact Mass412.26
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1noc(C)c1CCNC(=O)C1CCN(c2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C22H32N6O2/c1-16-19(17(2)30-26-16)8-11-23-22(29)18-9-14-28(15-10-18)21-7-6-20(24-25-21)27-12-4-3-5-13-27/h6-7,18H,3-5,8-15H2,1-2H3,(H,23,29)
InChIKeyAPDSNLGKNQQWCZ-UHFFFAOYSA-N
XLogP2.65
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentanecarboxamide
CID 110646241
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 20958205
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 112529882
N-(3-piperidin-1-ylpropyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771839
1-(cyclopropanecarbonyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]piperidine-4-carboxamide
CID 72871515
1-(6-methylpyridazin-3-yl)-N-propylpiperidine-4-carboxamide
CID 121118861
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide
CID 154564469
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 46297885
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 46364297
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidine-4-carboxamide
CID 20922933
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 47039591
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
CID 46324916

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 50771986) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is Cc1noc(C)c1CCNC(=O)C1CCN(c2ccc(N3CCCCC3)nn2)CC1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is APDSNLGKNQQWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O2/c1-16-19(17(2)30-26-16)8-11-23-22(29)18-9-14-28(15-10-18)21-7-6-20(24-25-21)27-12-4-3-5-13-27/h6-7,18H,3-5,8-15H2,1-2H3,(H,23,29).
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 412.54 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50771986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).