[3-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone

C22H30N4O — CID 95578552

IUPAC[3-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
SMILESCn1nccc1[C@@H]1CCCN(Cc2cccc(C(=O)N3CCCCC3)c2)C1
InChIInChI=1S/C22H30N4O/c1-24-21(10-11-23-24)20-9-6-12-25(17-20)16-18-7-5-8-19(15-18)22(27)26-13-3-2-4-14-26/h5,7-8,10-11,15,20H,2-4,6,9,12-14,16-17H2,1H3/t20-/m1/s1
InChIKeyFVPBYJHUQPEEEU-HXUWFJFHSA-N
MW366.51 g/mol
LogP3.43
Rot. Bonds4

About [3-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone

[3-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone (PubChem CID 95578552) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is [3-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
PubChem CID95578552
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name[3-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
SMILESCn1nccc1[C@@H]1CCCN(Cc2cccc(C(=O)N3CCCCC3)c2)C1
InChIInChI=1S/C22H30N4O/c1-24-21(10-11-23-24)20-9-6-12-25(17-20)16-18-7-5-8-19(15-18)22(27)26-13-3-2-4-14-26/h5,7-8,10-11,15,20H,2-4,6,9,12-14,16-17H2,1H3/t20-/m1/s1
InChIKeyFVPBYJHUQPEEEU-HXUWFJFHSA-N
XLogP3.43
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 60527564
(3-ethoxyphenyl)-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 136540847
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 10828160
(4-aminopiperidin-1-yl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 119376092
[3-[(3-ethylazetidin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 177347278
(3-aminophenyl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119874001
[3-(hydroxymethyl)piperidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 110904757
(3-hydroxypiperidin-1-yl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 111536594
[3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 119398103
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 119486463
[3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 10755739
methyl 5-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 95575195

Frequently Asked Questions

What is the IUPAC name of [3-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone (CID 95578552) is [3-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone is Cn1nccc1[C@@H]1CCCN(Cc2cccc(C(=O)N3CCCCC3)c2)C1.
What is the InChIKey of [3-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is FVPBYJHUQPEEEU-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H30N4O/c1-24-21(10-11-23-24)20-9-6-12-25(17-20)16-18-7-5-8-19(15-18)22(27)26-13-3-2-4-14-26/h5,7-8,10-11,15,20H,2-4,6,9,12-14,16-17H2,1H3/t20-/m1/s1.
What are the key properties of [3-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone?
[3-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 366.51 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 95578552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).