1-tert-butyl-3-(1-methyl-6-oxopiperidin-3-yl)urea

C11H21N3O2 — CID 115693464

IUPAC1-tert-butyl-3-(1-methyl-6-oxopiperidin-3-yl)urea
SMILESCN1CC(NC(=O)NC(C)(C)C)CCC1=O
InChIInChI=1S/C11H21N3O2/c1-11(2,3)13-10(16)12-8-5-6-9(15)14(4)7-8/h8H,5-7H2,1-4H3,(H2,12,13,16)
InChIKeyOVDUCGKOGGNWHQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.70
Rot. Bonds1

About 1-tert-butyl-3-(1-methyl-6-oxopiperidin-3-yl)urea

1-tert-butyl-3-(1-methyl-6-oxopiperidin-3-yl)urea (PubChem CID 115693464) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-tert-butyl-3-(1-methyl-6-oxopiperidin-3-yl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(1-methyl-6-oxopiperidin-3-yl)urea
PubChem CID115693464
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-tert-butyl-3-(1-methyl-6-oxopiperidin-3-yl)urea
SMILESCN1CC(NC(=O)NC(C)(C)C)CCC1=O
InChIInChI=1S/C11H21N3O2/c1-11(2,3)13-10(16)12-8-5-6-9(15)14(4)7-8/h8H,5-7H2,1-4H3,(H2,12,13,16)
InChIKeyOVDUCGKOGGNWHQ-UHFFFAOYSA-N
XLogP0.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 79801781
(2R)-3,3-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 103928096
(2S)-3,3-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 64668639
1-tert-butyl-3-(4-oxocyclohexyl)urea
CID 43652951
1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea
CID 124852141
2-(ethylamino)-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 64669408
methyl 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-2-oxoacetate
CID 112617343
(2S,3R)-3-hydroxy-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 104966339
3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid
CID 65224311
1-tert-butyl-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea
CID 116656521
2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxopiperidin-3-yl)pentanamide
CID 107472255
2-methyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]propanoic acid
CID 64669836

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(1-methyl-6-oxopiperidin-3-yl)urea?
The IUPAC name of 1-tert-butyl-3-(1-methyl-6-oxopiperidin-3-yl)urea (CID 115693464) is 1-tert-butyl-3-(1-methyl-6-oxopiperidin-3-yl)urea.
What is the SMILES notation for 1-tert-butyl-3-(1-methyl-6-oxopiperidin-3-yl)urea?
The canonical SMILES for 1-tert-butyl-3-(1-methyl-6-oxopiperidin-3-yl)urea is CN1CC(NC(=O)NC(C)(C)C)CCC1=O.
What is the InChIKey of 1-tert-butyl-3-(1-methyl-6-oxopiperidin-3-yl)urea?
The InChIKey is OVDUCGKOGGNWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-11(2,3)13-10(16)12-8-5-6-9(15)14(4)7-8/h8H,5-7H2,1-4H3,(H2,12,13,16).
What are the key properties of 1-tert-butyl-3-(1-methyl-6-oxopiperidin-3-yl)urea?
1-tert-butyl-3-(1-methyl-6-oxopiperidin-3-yl)urea has a molecular weight of 227.31 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(1-methyl-6-oxopiperidin-3-yl)urea is sourced from PubChem (CID 115693464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).