3-tert-butyl-1-methyl-1-(piperidin-2-ylmethyl)urea

C12H25N3O — CID 106629792

IUPAC3-tert-butyl-1-methyl-1-(piperidin-2-ylmethyl)urea
SMILESCN(CC1CCCCN1)C(=O)NC(C)(C)C
InChIInChI=1S/C12H25N3O/c1-12(2,3)14-11(16)15(4)9-10-7-5-6-8-13-10/h10,13H,5-9H2,1-4H3,(H,14,16)
InChIKeyZPYYXFRNWRNUMQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.57
Rot. Bonds2

About 3-tert-butyl-1-methyl-1-(piperidin-2-ylmethyl)urea

3-tert-butyl-1-methyl-1-(piperidin-2-ylmethyl)urea (PubChem CID 106629792) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-1-(piperidin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-1-(piperidin-2-ylmethyl)urea
PubChem CID106629792
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-tert-butyl-1-methyl-1-(piperidin-2-ylmethyl)urea
SMILESCN(CC1CCCCN1)C(=O)NC(C)(C)C
InChIInChI=1S/C12H25N3O/c1-12(2,3)14-11(16)15(4)9-10-7-5-6-8-13-10/h10,13H,5-9H2,1-4H3,(H,14,16)
InChIKeyZPYYXFRNWRNUMQ-UHFFFAOYSA-N
XLogP1.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N,2-dimethyl-N-(piperidin-2-ylmethyl)propanamide
CID 106627251
N-tert-butyl-2-piperidin-2-ylacetamide
CID 43151334
3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629819
1-ethyl-1,3-dimethyl-3-(piperidin-2-ylmethyl)urea
CID 106629811
N-methyl-N-(piperidin-2-ylmethyl)cycloheptanecarboxamide
CID 106627288
N-tert-butyl-2-[cyclopropyl(piperidin-2-ylmethyl)amino]propanamide
CID 106631536
1-tert-butyl-3-(piperidin-2-ylmethyl)urea
CID 43210550
3-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
CID 106635493
3-(4-methoxyphenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629798
tert-butyl N-cyclopropyl-N-[[(2S)-piperidin-2-yl]methyl]carbamate
CID 96555647
N-cyclopropyl-N-(piperidin-2-ylmethyl)acetamide
CID 66569474
3-(3-chlorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629815

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-1-(piperidin-2-ylmethyl)urea?
The IUPAC name of 3-tert-butyl-1-methyl-1-(piperidin-2-ylmethyl)urea (CID 106629792) is 3-tert-butyl-1-methyl-1-(piperidin-2-ylmethyl)urea.
What is the SMILES notation for 3-tert-butyl-1-methyl-1-(piperidin-2-ylmethyl)urea?
The canonical SMILES for 3-tert-butyl-1-methyl-1-(piperidin-2-ylmethyl)urea is CN(CC1CCCCN1)C(=O)NC(C)(C)C.
What is the InChIKey of 3-tert-butyl-1-methyl-1-(piperidin-2-ylmethyl)urea?
The InChIKey is ZPYYXFRNWRNUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-12(2,3)14-11(16)15(4)9-10-7-5-6-8-13-10/h10,13H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 3-tert-butyl-1-methyl-1-(piperidin-2-ylmethyl)urea?
3-tert-butyl-1-methyl-1-(piperidin-2-ylmethyl)urea has a molecular weight of 227.35 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-1-(piperidin-2-ylmethyl)urea is sourced from PubChem (CID 106629792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).