[6-[(3-methylpiperidin-3-yl)methoxy]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

C22H31N5O2 — CID 45191348

IUPAC[6-[(3-methylpiperidin-3-yl)methoxy]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESCC1(COc2ccc(C(=O)N3CCC(Cn4cccn4)CC3)cn2)CCCNC1
InChIInChI=1S/C22H31N5O2/c1-22(8-2-9-23-16-22)17-29-20-5-4-19(14-24-20)21(28)26-12-6-18(7-13-26)15-27-11-3-10-25-27/h3-5,10-11,14,18,23H,2,6-9,12-13,15-17H2,1H3
InChIKeyYIFDAIOZQQVSCK-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.60
Rot. Bonds6

About [6-[(3-methylpiperidin-3-yl)methoxy]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

[6-[(3-methylpiperidin-3-yl)methoxy]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 45191348) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is [6-[(3-methylpiperidin-3-yl)methoxy]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[(3-methylpiperidin-3-yl)methoxy]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID45191348
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name[6-[(3-methylpiperidin-3-yl)methoxy]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESCC1(COc2ccc(C(=O)N3CCC(Cn4cccn4)CC3)cn2)CCCNC1
InChIInChI=1S/C22H31N5O2/c1-22(8-2-9-23-16-22)17-29-20-5-4-19(14-24-20)21(28)26-12-6-18(7-13-26)15-27-11-3-10-25-27/h3-5,10-11,14,18,23H,2,6-9,12-13,15-17H2,1H3
InChIKeyYIFDAIOZQQVSCK-UHFFFAOYSA-N
XLogP2.60
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-[(3-methylpiperidin-3-yl)methoxy]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 45177975
(4-methylphenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494869
(6-ethoxy-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95347058
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 90495097
[6-[[(3R)-oxolan-3-yl]amino]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 25372870
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 25368785
[6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95193057
5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 138001709
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688
(2-methylsulfanylphenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494929
N-[(3-methylpiperidin-3-yl)methyl]-2-pyrazol-1-ylacetamide
CID 113400450
(2-aminophenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119947130

Frequently Asked Questions

What is the IUPAC name of [6-[(3-methylpiperidin-3-yl)methoxy]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-[(3-methylpiperidin-3-yl)methoxy]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (CID 45191348) is [6-[(3-methylpiperidin-3-yl)methoxy]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-[(3-methylpiperidin-3-yl)methoxy]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-[(3-methylpiperidin-3-yl)methoxy]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is CC1(COc2ccc(C(=O)N3CCC(Cn4cccn4)CC3)cn2)CCCNC1.
What is the InChIKey of [6-[(3-methylpiperidin-3-yl)methoxy]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is YIFDAIOZQQVSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-22(8-2-9-23-16-22)17-29-20-5-4-19(14-24-20)21(28)26-12-6-18(7-13-26)15-27-11-3-10-25-27/h3-5,10-11,14,18,23H,2,6-9,12-13,15-17H2,1H3.
What are the key properties of [6-[(3-methylpiperidin-3-yl)methoxy]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
[6-[(3-methylpiperidin-3-yl)methoxy]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 397.52 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-methylpiperidin-3-yl)methoxy]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 45191348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).