1-[4-[[3-(4-tert-butylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one

C26H33N3O2 — CID 45247436

IUPAC1-[4-[[3-(4-tert-butylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one
SMILESCC(C)(C)c1ccc(C(=O)C2CCCN(Cc3ccc(N4CCNC4=O)cc3)C2)cc1
InChIInChI=1S/C26H33N3O2/c1-26(2,3)22-10-8-20(9-11-22)24(30)21-5-4-15-28(18-21)17-19-6-12-23(13-7-19)29-16-14-27-25(29)31/h6-13,21H,4-5,14-18H2,1-3H3,(H,27,31)
InChIKeyXCQYQRMPOHJRSE-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.61
Rot. Bonds5

About 1-[4-[[3-(4-tert-butylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one

1-[4-[[3-(4-tert-butylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one (PubChem CID 45247436) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 1-[4-[[3-(4-tert-butylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[[3-(4-tert-butylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one
PubChem CID45247436
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name1-[4-[[3-(4-tert-butylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one
SMILESCC(C)(C)c1ccc(C(=O)C2CCCN(Cc3ccc(N4CCNC4=O)cc3)C2)cc1
InChIInChI=1S/C26H33N3O2/c1-26(2,3)22-10-8-20(9-11-22)24(30)21-5-4-15-28(18-21)17-19-6-12-23(13-7-19)29-16-14-27-25(29)31/h6-13,21H,4-5,14-18H2,1-3H3,(H,27,31)
InChIKeyXCQYQRMPOHJRSE-UHFFFAOYSA-N
XLogP4.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one
CID 26395084
1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid
CID 3997008
(4-tert-butylphenyl)-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
CID 45234791
N-[[1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 45222250
(4-fluorophenyl)-[1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]methanone
CID 111436466
(1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone
CID 142430235
1-benzyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 47069261
(3S)-1-[(4-tert-butylphenyl)methyl]-3-methylpiperidine
CID 158164357
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 23723344
[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 45237526
1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol
CID 46739874
4-[[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methoxy]benzoic acid
CID 22116078

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(4-tert-butylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[[3-(4-tert-butylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one (CID 45247436) is 1-[4-[[3-(4-tert-butylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[[3-(4-tert-butylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[[3-(4-tert-butylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one is CC(C)(C)c1ccc(C(=O)C2CCCN(Cc3ccc(N4CCNC4=O)cc3)C2)cc1.
What is the InChIKey of 1-[4-[[3-(4-tert-butylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one?
The InChIKey is XCQYQRMPOHJRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-26(2,3)22-10-8-20(9-11-22)24(30)21-5-4-15-28(18-21)17-19-6-12-23(13-7-19)29-16-14-27-25(29)31/h6-13,21H,4-5,14-18H2,1-3H3,(H,27,31).
What are the key properties of 1-[4-[[3-(4-tert-butylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one?
1-[4-[[3-(4-tert-butylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one has a molecular weight of 419.57 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(4-tert-butylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 45247436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).