[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone

C21H29N3O2 — CID 45195158

IUPAC[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
SMILESCCn1ccnc1CN1CCCC(C(=O)c2cccc(OC(C)C)c2)C1
InChIInChI=1S/C21H29N3O2/c1-4-24-12-10-22-20(24)15-23-11-6-8-18(14-23)21(25)17-7-5-9-19(13-17)26-16(2)3/h5,7,9-10,12-13,16,18H,4,6,8,11,14-15H2,1-3H3
InChIKeyFIGRMLSTHRIMAZ-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.79
Rot. Bonds7

About [1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone

[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone (PubChem CID 45195158) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is [1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
PubChem CID45195158
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
SMILESCCn1ccnc1CN1CCCC(C(=O)c2cccc(OC(C)C)c2)C1
InChIInChI=1S/C21H29N3O2/c1-4-24-12-10-22-20(24)15-23-11-6-8-18(14-23)21(25)17-7-5-9-19(13-17)26-16(2)3/h5,7,9-10,12-13,16,18H,4,6,8,11,14-15H2,1-3H3
InChIKeyFIGRMLSTHRIMAZ-UHFFFAOYSA-N
XLogP3.79
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-propan-2-yloxyphenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone
CID 45172268
[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45244750
[(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 25395452
(3-propan-2-yloxyphenyl)-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone
CID 45197086
N-cyclopropyl-2-[3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]acetamide
CID 56869733
[1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45220380
[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45211325
[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone
CID 45232578
(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
N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide
CID 45250289
(3S)-N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide
CID 26406225

Frequently Asked Questions

What is the IUPAC name of [1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone?
The IUPAC name of [1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone (CID 45195158) is [1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for [1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone?
The canonical SMILES for [1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone is CCn1ccnc1CN1CCCC(C(=O)c2cccc(OC(C)C)c2)C1.
What is the InChIKey of [1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone?
The InChIKey is FIGRMLSTHRIMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-4-24-12-10-22-20(24)15-23-11-6-8-18(14-23)21(25)17-7-5-9-19(13-17)26-16(2)3/h5,7,9-10,12-13,16,18H,4,6,8,11,14-15H2,1-3H3.
What are the key properties of [1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone?
[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone has a molecular weight of 355.48 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 45195158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).