[4-hydroxy-4-[(2-methyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone

C24H29N3O3 — CID 142799496

IUPAC[4-hydroxy-4-[(2-methyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
SMILESCN1N=CCC1CC1(O)CCN(C(=O)c2ccc(COc3ccccc3)cc2)CC1
InChIInChI=1S/C24H29N3O3/c1-26-21(11-14-25-26)17-24(29)12-15-27(16-13-24)23(28)20-9-7-19(8-10-20)18-30-22-5-3-2-4-6-22/h2-10,14,21,29H,11-13,15-18H2,1H3
InChIKeyZZNBLXDUKSOSTB-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.31
Rot. Bonds6

About [4-hydroxy-4-[(2-methyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone

[4-hydroxy-4-[(2-methyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone (PubChem CID 142799496) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is [4-hydroxy-4-[(2-methyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-hydroxy-4-[(2-methyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
PubChem CID142799496
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name[4-hydroxy-4-[(2-methyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
SMILESCN1N=CCC1CC1(O)CCN(C(=O)c2ccc(COc3ccccc3)cc2)CC1
InChIInChI=1S/C24H29N3O3/c1-26-21(11-14-25-26)17-24(29)12-15-27(16-13-24)23(28)20-9-7-19(8-10-20)18-30-22-5-3-2-4-6-22/h2-10,14,21,29H,11-13,15-18H2,1H3
InChIKeyZZNBLXDUKSOSTB-UHFFFAOYSA-N
XLogP3.31
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-hydroxy-4-[(2-methyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]-[4-(phenoxymethyl)phenyl]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-bromophenyl)-[4-hydroxy-4-[(2-methyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone
CID 142799385
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
[3-hydroxy-3-(phenoxymethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 132777180
[4-(ethylaminomethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119645905
(4-ethylphenyl)-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]methanone
CID 155991710
ethyl 4-[4-(phenoxymethyl)benzoyl]piperazine-1-carboxylate
CID 6457055
[4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone
CID 87056027
(3R,4S)-3-hydroxy-1-[4-(phenoxymethyl)benzoyl]-4-propylpiperidine-4-carboxylic acid
CID 135117162
[1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134041883
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
(4-ethyl-1,4-diazepan-1-yl)-[4-(phenoxymethyl)phenyl]methanone
CID 134813184
(3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125135118

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-[(2-methyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone?
The IUPAC name of [4-hydroxy-4-[(2-methyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone (CID 142799496) is [4-hydroxy-4-[(2-methyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone.
What is the SMILES notation for [4-hydroxy-4-[(2-methyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone?
The canonical SMILES for [4-hydroxy-4-[(2-methyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone is CN1N=CCC1CC1(O)CCN(C(=O)c2ccc(COc3ccccc3)cc2)CC1.
What is the InChIKey of [4-hydroxy-4-[(2-methyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone?
The InChIKey is ZZNBLXDUKSOSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-26-21(11-14-25-26)17-24(29)12-15-27(16-13-24)23(28)20-9-7-19(8-10-20)18-30-22-5-3-2-4-6-22/h2-10,14,21,29H,11-13,15-18H2,1H3.
What are the key properties of [4-hydroxy-4-[(2-methyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone?
[4-hydroxy-4-[(2-methyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone has a molecular weight of 407.51 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-[(2-methyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone is sourced from PubChem (CID 142799496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).