2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone

C21H29N5O2 — CID 126453998

IUPAC2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
SMILESO=C(Cn1nccc1[C@H]1CCCNC1)N1CCC(OCc2ccccn2)CC1
InChIInChI=1S/C21H29N5O2/c27-21(15-26-20(6-11-24-26)17-4-3-9-22-14-17)25-12-7-19(8-13-25)28-16-18-5-1-2-10-23-18/h1-2,5-6,10-11,17,19,22H,3-4,7-9,12-16H2/t17-/m0/s1
InChIKeyJVVNHJODODMRBM-KRWDZBQOSA-N
MW383.50 g/mol
LogP1.95
Rot. Bonds6

About 2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone

2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone (PubChem CID 126453998) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
PubChem CID126453998
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
SMILESO=C(Cn1nccc1[C@H]1CCCNC1)N1CCC(OCc2ccccn2)CC1
InChIInChI=1S/C21H29N5O2/c27-21(15-26-20(6-11-24-26)17-4-3-9-22-14-17)25-12-7-19(8-13-25)28-16-18-5-1-2-10-23-18/h1-2,5-6,10-11,17,19,22H,3-4,7-9,12-16H2/t17-/m0/s1
InChIKeyJVVNHJODODMRBM-KRWDZBQOSA-N
XLogP1.95
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-(4-phenylmethoxypiperidin-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride
CID 154906009
1-(azepan-1-yl)-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone
CID 126426759
1-(azocan-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride
CID 154903731
1-(4-benzylpiperidin-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride
CID 154903726
2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 126448053
2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone
CID 126453918
2-(5-methylpyrazol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 97134776
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 118775788
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone
CID 126428052
1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone
CID 126429636
(5R)-5-[2-oxo-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 99926778
N-benzyl-N-ethyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119069345

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone (CID 126453998) is 2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone is O=C(Cn1nccc1[C@H]1CCCNC1)N1CCC(OCc2ccccn2)CC1.
What is the InChIKey of 2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone?
The InChIKey is JVVNHJODODMRBM-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H29N5O2/c27-21(15-26-20(6-11-24-26)17-4-3-9-22-14-17)25-12-7-19(8-13-25)28-16-18-5-1-2-10-23-18/h1-2,5-6,10-11,17,19,22H,3-4,7-9,12-16H2/t17-/m0/s1.
What are the key properties of 2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone?
2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone has a molecular weight of 383.50 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 126453998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).