4-tert-butyl-3-methyl-1-(piperidin-3-ylmethyl)imidazolidin-2-one

C14H27N3O — CID 116981844

IUPAC4-tert-butyl-3-methyl-1-(piperidin-3-ylmethyl)imidazolidin-2-one
SMILESCN1C(=O)N(CC2CCCNC2)CC1C(C)(C)C
InChIInChI=1S/C14H27N3O/c1-14(2,3)12-10-17(13(18)16(12)4)9-11-6-5-7-15-8-11/h11-12,15H,5-10H2,1-4H3
InChIKeySOSWREOKRULVKX-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.77
Rot. Bonds2

About 4-tert-butyl-3-methyl-1-(piperidin-3-ylmethyl)imidazolidin-2-one

4-tert-butyl-3-methyl-1-(piperidin-3-ylmethyl)imidazolidin-2-one (PubChem CID 116981844) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-tert-butyl-3-methyl-1-(piperidin-3-ylmethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-3-methyl-1-(piperidin-3-ylmethyl)imidazolidin-2-one
PubChem CID116981844
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-tert-butyl-3-methyl-1-(piperidin-3-ylmethyl)imidazolidin-2-one
SMILESCN1C(=O)N(CC2CCCNC2)CC1C(C)(C)C
InChIInChI=1S/C14H27N3O/c1-14(2,3)12-10-17(13(18)16(12)4)9-11-6-5-7-15-8-11/h11-12,15H,5-10H2,1-4H3
InChIKeySOSWREOKRULVKX-UHFFFAOYSA-N
XLogP1.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one
CID 116981847
4-tert-butyl-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-one
CID 116979101
3-methyl-1-(2-piperidin-3-ylethyl)-4-propylimidazolidin-2-one
CID 116982765
3-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)propanenitrile
CID 116982510
4-(hydroxymethyl)-1-(piperidin-3-ylmethyl)pyrrolidin-2-one
CID 168661808
3-methyl-1-(pyrrolidin-3-ylmethyl)-4-thiophen-2-ylimidazolidin-2-one
CID 116981815
1-methyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one
CID 105450979
1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one
CID 116979163
3-[[(3R)-piperidin-3-yl]methyl]-1,4-dihydroquinazolin-2-one
CID 97169092
4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane
CID 166490138
4-(2-bromophenyl)-1-(piperidin-3-ylmethyl)imidazolidin-2-one
CID 116979173
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 79187862

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-methyl-1-(piperidin-3-ylmethyl)imidazolidin-2-one?
The IUPAC name of 4-tert-butyl-3-methyl-1-(piperidin-3-ylmethyl)imidazolidin-2-one (CID 116981844) is 4-tert-butyl-3-methyl-1-(piperidin-3-ylmethyl)imidazolidin-2-one.
What is the SMILES notation for 4-tert-butyl-3-methyl-1-(piperidin-3-ylmethyl)imidazolidin-2-one?
The canonical SMILES for 4-tert-butyl-3-methyl-1-(piperidin-3-ylmethyl)imidazolidin-2-one is CN1C(=O)N(CC2CCCNC2)CC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-methyl-1-(piperidin-3-ylmethyl)imidazolidin-2-one?
The InChIKey is SOSWREOKRULVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-14(2,3)12-10-17(13(18)16(12)4)9-11-6-5-7-15-8-11/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 4-tert-butyl-3-methyl-1-(piperidin-3-ylmethyl)imidazolidin-2-one?
4-tert-butyl-3-methyl-1-(piperidin-3-ylmethyl)imidazolidin-2-one has a molecular weight of 253.39 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-methyl-1-(piperidin-3-ylmethyl)imidazolidin-2-one is sourced from PubChem (CID 116981844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).