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

C22H30N4O2 — CID 120929969

IUPAC[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
SMILESCOc1ccc(CC2CCN(C(=O)C3(n4cccn4)CCNCC3)CC2)cc1
InChIInChI=1S/C22H30N4O2/c1-28-20-5-3-18(4-6-20)17-19-7-15-25(16-8-19)21(27)22(9-12-23-13-10-22)26-14-2-11-24-26/h2-6,11,14,19,23H,7-10,12-13,15-17H2,1H3
InChIKeyMKRAFDUEHZJNSX-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.45
Rot. Bonds5

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

[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone (PubChem CID 120929969) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
PubChem CID120929969
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
SMILESCOc1ccc(CC2CCN(C(=O)C3(n4cccn4)CCNCC3)CC2)cc1
InChIInChI=1S/C22H30N4O2/c1-28-20-5-3-18(4-6-20)17-19-7-15-25(16-8-19)21(27)22(9-12-23-13-10-22)26-14-2-11-24-26/h2-6,11,14,19,23H,7-10,12-13,15-17H2,1H3
InChIKeyMKRAFDUEHZJNSX-UHFFFAOYSA-N
XLogP2.45
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120930215
[4-(methoxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120931342
N-[(4-methoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918265
(1-hydroxycyclopentyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 110912966
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923643
N-[2-(4-methoxyphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919956
3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981397
[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-(1H-imidazol-5-yl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120941971
[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119765874
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120927856

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
The IUPAC name of [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone (CID 120929969) is [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
The canonical SMILES for [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone is COc1ccc(CC2CCN(C(=O)C3(n4cccn4)CCNCC3)CC2)cc1.
What is the InChIKey of [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
The InChIKey is MKRAFDUEHZJNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-28-20-5-3-18(4-6-20)17-19-7-15-25(16-8-19)21(27)22(9-12-23-13-10-22)26-14-2-11-24-26/h2-6,11,14,19,23H,7-10,12-13,15-17H2,1H3.
What are the key properties of [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone has a molecular weight of 382.51 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 120929969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).