(3-propan-2-yloxyphenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone

C19H25N3O2 — CID 45172268

IUPAC(3-propan-2-yloxyphenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone
SMILESCC(C)Oc1cccc(C(=O)C2CCCN(Cc3ccn[nH]3)C2)c1
InChIInChI=1S/C19H25N3O2/c1-14(2)24-18-7-3-5-15(11-18)19(23)16-6-4-10-22(12-16)13-17-8-9-20-21-17/h3,5,7-9,11,14,16H,4,6,10,12-13H2,1-2H3,(H,20,21)
InChIKeyUSJXZUISVQHXFG-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.29
Rot. Bonds6

About (3-propan-2-yloxyphenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone

(3-propan-2-yloxyphenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone (PubChem CID 45172268) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (3-propan-2-yloxyphenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3-propan-2-yloxyphenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone
PubChem CID45172268
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(3-propan-2-yloxyphenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone
SMILESCC(C)Oc1cccc(C(=O)C2CCCN(Cc3ccn[nH]3)C2)c1
InChIInChI=1S/C19H25N3O2/c1-14(2)24-18-7-3-5-15(11-18)19(23)16-6-4-10-22(12-16)13-17-8-9-20-21-17/h3,5,7-9,11,14,16H,4,6,10,12-13H2,1-2H3,(H,20,21)
InChIKeyUSJXZUISVQHXFG-UHFFFAOYSA-N
XLogP3.29
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-propan-2-yloxyphenyl)-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone
CID 45197086
[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45244750
[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45195158
[(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 25395452
(4-chlorophenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone
CID 45180520
N-cyclopropyl-2-[3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]acetamide
CID 56869733
[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45211325
(1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone
CID 45245966
[(3R)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 26336876
[1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45220380
[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 45237526
N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide
CID 45250289

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yloxyphenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone?
The IUPAC name of (3-propan-2-yloxyphenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone (CID 45172268) is (3-propan-2-yloxyphenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone.
What is the SMILES notation for (3-propan-2-yloxyphenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone?
The canonical SMILES for (3-propan-2-yloxyphenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone is CC(C)Oc1cccc(C(=O)C2CCCN(Cc3ccn[nH]3)C2)c1.
What is the InChIKey of (3-propan-2-yloxyphenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone?
The InChIKey is USJXZUISVQHXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14(2)24-18-7-3-5-15(11-18)19(23)16-6-4-10-22(12-16)13-17-8-9-20-21-17/h3,5,7-9,11,14,16H,4,6,10,12-13H2,1-2H3,(H,20,21).
What are the key properties of (3-propan-2-yloxyphenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone?
(3-propan-2-yloxyphenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone has a molecular weight of 327.43 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yloxyphenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 45172268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).