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

C11H23N3O — CID 43210550

IUPAC1-tert-butyl-3-(piperidin-2-ylmethyl)urea
SMILESCC(C)(C)NC(=O)NCC1CCCCN1
InChIInChI=1S/C11H23N3O/c1-11(2,3)14-10(15)13-8-9-6-4-5-7-12-9/h9,12H,4-8H2,1-3H3,(H2,13,14,15)
InChIKeyHITJQIIPDLMOKL-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.23
Rot. Bonds2

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

1-tert-butyl-3-(piperidin-2-ylmethyl)urea (PubChem CID 43210550) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-tert-butyl-3-(piperidin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(piperidin-2-ylmethyl)urea
PubChem CID43210550
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-tert-butyl-3-(piperidin-2-ylmethyl)urea
SMILESCC(C)(C)NC(=O)NCC1CCCCN1
InChIInChI=1S/C11H23N3O/c1-11(2,3)14-10(15)13-8-9-6-4-5-7-12-9/h9,12H,4-8H2,1-3H3,(H2,13,14,15)
InChIKeyHITJQIIPDLMOKL-UHFFFAOYSA-N
XLogP1.23
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-3-(piperidin-2-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-piperidin-2-ylacetamide
CID 43151334
1-cyclopropyl-3-(piperidin-2-ylmethyl)urea
CID 62700229
[(2S)-piperidin-2-yl]methylcarbamic acid
CID 67090489
2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 62542506
3-tert-butyl-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629792
1-tert-butyl-3-(piperidin-4-ylmethyl)urea
CID 28786559
1-(piperidin-2-ylmethyl)-3-(piperidin-3-ylmethyl)urea
CID 117235098
3,3,3-trifluoro-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)propanamide
CID 103309459
1-butyl-3-(pyrrolidin-2-ylmethyl)urea
CID 62540044
1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(piperidin-2-ylmethyl)urea
CID 117235828
1-amino-N-(piperidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 130961670
N-(piperidin-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81479063

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(piperidin-2-ylmethyl)urea?
The IUPAC name of 1-tert-butyl-3-(piperidin-2-ylmethyl)urea (CID 43210550) is 1-tert-butyl-3-(piperidin-2-ylmethyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(piperidin-2-ylmethyl)urea?
The canonical SMILES for 1-tert-butyl-3-(piperidin-2-ylmethyl)urea is CC(C)(C)NC(=O)NCC1CCCCN1.
What is the InChIKey of 1-tert-butyl-3-(piperidin-2-ylmethyl)urea?
The InChIKey is HITJQIIPDLMOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-11(2,3)14-10(15)13-8-9-6-4-5-7-12-9/h9,12H,4-8H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-tert-butyl-3-(piperidin-2-ylmethyl)urea?
1-tert-butyl-3-(piperidin-2-ylmethyl)urea has a molecular weight of 213.32 g/mol, XLogP of 1.23, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(piperidin-2-ylmethyl)urea is sourced from PubChem (CID 43210550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).