[3-[(3-methylphenoxy)methyl]piperidin-1-yl]-[3-(1-methylpyrazol-4-yl)phenyl]methanone

C24H27N3O2 — CID 119068422

IUPAC[3-[(3-methylphenoxy)methyl]piperidin-1-yl]-[3-(1-methylpyrazol-4-yl)phenyl]methanone
SMILESCc1cccc(OCC2CCCN(C(=O)c3cccc(-c4cnn(C)c4)c3)C2)c1
InChIInChI=1S/C24H27N3O2/c1-18-6-3-10-23(12-18)29-17-19-7-5-11-27(15-19)24(28)21-9-4-8-20(13-21)22-14-25-26(2)16-22/h3-4,6,8-10,12-14,16,19H,5,7,11,15,17H2,1-2H3
InChIKeySGOUXSWTXHYBJM-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.33
Rot. Bonds5

About [3-[(3-methylphenoxy)methyl]piperidin-1-yl]-[3-(1-methylpyrazol-4-yl)phenyl]methanone

[3-[(3-methylphenoxy)methyl]piperidin-1-yl]-[3-(1-methylpyrazol-4-yl)phenyl]methanone (PubChem CID 119068422) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is [3-[(3-methylphenoxy)methyl]piperidin-1-yl]-[3-(1-methylpyrazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-[(3-methylphenoxy)methyl]piperidin-1-yl]-[3-(1-methylpyrazol-4-yl)phenyl]methanone
PubChem CID119068422
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name[3-[(3-methylphenoxy)methyl]piperidin-1-yl]-[3-(1-methylpyrazol-4-yl)phenyl]methanone
SMILESCc1cccc(OCC2CCCN(C(=O)c3cccc(-c4cnn(C)c4)c3)C2)c1
InChIInChI=1S/C24H27N3O2/c1-18-6-3-10-23(12-18)29-17-19-7-5-11-27(15-19)24(28)21-9-4-8-20(13-21)22-14-25-26(2)16-22/h3-4,6,8-10,12-14,16,19H,5,7,11,15,17H2,1-2H3
InChIKeySGOUXSWTXHYBJM-UHFFFAOYSA-N
XLogP4.33
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 94979993
[(3R)-3-[[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]methyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 42162569
ethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110638519
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[3-(1-methylpyrazol-4-yl)phenyl]methanone
CID 119072767
[3-[[1-(2-methylbenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50847103
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone
CID 95188150
(2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 95872962
[3-[[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
CID 92900752
(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110638403
4-[(3S)-3-[[3-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidine-1-carbonyl]benzonitrile
CID 92900885
6-methyl-5-[3-[(3-methylphenoxy)methyl]piperidine-1-carbonyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 70782735
[2-[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea
CID 95867203

Frequently Asked Questions

What is the IUPAC name of [3-[(3-methylphenoxy)methyl]piperidin-1-yl]-[3-(1-methylpyrazol-4-yl)phenyl]methanone?
The IUPAC name of [3-[(3-methylphenoxy)methyl]piperidin-1-yl]-[3-(1-methylpyrazol-4-yl)phenyl]methanone (CID 119068422) is [3-[(3-methylphenoxy)methyl]piperidin-1-yl]-[3-(1-methylpyrazol-4-yl)phenyl]methanone.
What is the SMILES notation for [3-[(3-methylphenoxy)methyl]piperidin-1-yl]-[3-(1-methylpyrazol-4-yl)phenyl]methanone?
The canonical SMILES for [3-[(3-methylphenoxy)methyl]piperidin-1-yl]-[3-(1-methylpyrazol-4-yl)phenyl]methanone is Cc1cccc(OCC2CCCN(C(=O)c3cccc(-c4cnn(C)c4)c3)C2)c1.
What is the InChIKey of [3-[(3-methylphenoxy)methyl]piperidin-1-yl]-[3-(1-methylpyrazol-4-yl)phenyl]methanone?
The InChIKey is SGOUXSWTXHYBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-18-6-3-10-23(12-18)29-17-19-7-5-11-27(15-19)24(28)21-9-4-8-20(13-21)22-14-25-26(2)16-22/h3-4,6,8-10,12-14,16,19H,5,7,11,15,17H2,1-2H3.
What are the key properties of [3-[(3-methylphenoxy)methyl]piperidin-1-yl]-[3-(1-methylpyrazol-4-yl)phenyl]methanone?
[3-[(3-methylphenoxy)methyl]piperidin-1-yl]-[3-(1-methylpyrazol-4-yl)phenyl]methanone has a molecular weight of 389.50 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methylphenoxy)methyl]piperidin-1-yl]-[3-(1-methylpyrazol-4-yl)phenyl]methanone is sourced from PubChem (CID 119068422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).