[4-(methoxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone

C16H26N4O2 — CID 120931342

IUPAC[4-(methoxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
SMILESCOCC1CCN(C(=O)C2(n3cccn3)CCNCC2)CC1
InChIInChI=1S/C16H26N4O2/c1-22-13-14-3-11-19(12-4-14)15(21)16(5-8-17-9-6-16)20-10-2-7-18-20/h2,7,10,14,17H,3-6,8-9,11-13H2,1H3
InChIKeyPBTOWFGCFKYEOB-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.85
Rot. Bonds4

About [4-(methoxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone

[4-(methoxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone (PubChem CID 120931342) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is [4-(methoxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
PubChem CID120931342
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name[4-(methoxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
SMILESCOCC1CCN(C(=O)C2(n3cccn3)CCNCC2)CC1
InChIInChI=1S/C16H26N4O2/c1-22-13-14-3-11-19(12-4-14)15(21)16(5-8-17-9-6-16)20-10-2-7-18-20/h2,7,10,14,17H,3-6,8-9,11-13H2,1H3
InChIKeyPBTOWFGCFKYEOB-UHFFFAOYSA-N
XLogP0.85
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120929969
[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120930215
[2-(methoxymethyl)morpholin-4-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120933760
[4-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120939296
N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]propane-1-sulfonamide
CID 120925571
[3-(diethylamino)pyrrolidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120938728
[4-(cyclohexylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120938714
(4-ethyl-4-methylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120930116
morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120917128
[4-(4-methylcyclohexyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120941863
(4-methylphenyl)-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]methanone
CID 120926910
[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120941320

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
The IUPAC name of [4-(methoxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone (CID 120931342) is [4-(methoxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-(methoxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
The canonical SMILES for [4-(methoxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone is COCC1CCN(C(=O)C2(n3cccn3)CCNCC2)CC1.
What is the InChIKey of [4-(methoxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
The InChIKey is PBTOWFGCFKYEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-22-13-14-3-11-19(12-4-14)15(21)16(5-8-17-9-6-16)20-10-2-7-18-20/h2,7,10,14,17H,3-6,8-9,11-13H2,1H3.
What are the key properties of [4-(methoxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
[4-(methoxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone has a molecular weight of 306.41 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 120931342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).