1-tert-butyl-3-(piperidin-4-ylmethyl)urea

C11H23N3O — CID 28786559

IUPAC1-tert-butyl-3-(piperidin-4-ylmethyl)urea
SMILESCC(C)(C)NC(=O)NCC1CCNCC1
InChIInChI=1S/C11H23N3O/c1-11(2,3)14-10(15)13-8-9-4-6-12-7-5-9/h9,12H,4-8H2,1-3H3,(H2,13,14,15)
InChIKeyGXNWUQRTVMGXMO-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.08
Rot. Bonds2

About 1-tert-butyl-3-(piperidin-4-ylmethyl)urea

1-tert-butyl-3-(piperidin-4-ylmethyl)urea (PubChem CID 28786559) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-tert-butyl-3-(piperidin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(piperidin-4-ylmethyl)urea
PubChem CID28786559
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-tert-butyl-3-(piperidin-4-ylmethyl)urea
SMILESCC(C)(C)NC(=O)NCC1CCNCC1
InChIInChI=1S/C11H23N3O/c1-11(2,3)14-10(15)13-8-9-4-6-12-7-5-9/h9,12H,4-8H2,1-3H3,(H2,13,14,15)
InChIKeyGXNWUQRTVMGXMO-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(piperidin-4-ylmethylamino)acetamide
CID 115356303
1-tert-butyl-3-[(3-hydroxycyclobutyl)methyl]urea
CID 66005658
methane;N-(piperidin-4-ylmethyl)acetamide
CID 161365348
2-(piperidin-4-ylmethylcarbamoylamino)acetic acid
CID 117234705
1-(2-oxoethyl)-3-(piperidin-4-ylmethyl)urea
CID 117234637
1-tert-butyl-3-(piperidin-2-ylmethyl)urea
CID 43210550
2-methoxy-N-(piperidin-4-ylmethyl)acetamide
CID 18070130
1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea
CID 59006471
2,2-dimethyl-N-(pyrrolidin-3-ylmethyl)propanamide
CID 58790353
1-(1-phenylethyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride
CID 171393262
1-methyl-N-(piperidin-4-ylmethyl)cyclopropane-1-carboxamide
CID 130163320
2-methyl-2-(piperidin-4-ylmethylamino)propanamide
CID 79707226

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(piperidin-4-ylmethyl)urea?
The IUPAC name of 1-tert-butyl-3-(piperidin-4-ylmethyl)urea (CID 28786559) is 1-tert-butyl-3-(piperidin-4-ylmethyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(piperidin-4-ylmethyl)urea?
The canonical SMILES for 1-tert-butyl-3-(piperidin-4-ylmethyl)urea is CC(C)(C)NC(=O)NCC1CCNCC1.
What is the InChIKey of 1-tert-butyl-3-(piperidin-4-ylmethyl)urea?
The InChIKey is GXNWUQRTVMGXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-11(2,3)14-10(15)13-8-9-4-6-12-7-5-9/h9,12H,4-8H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-tert-butyl-3-(piperidin-4-ylmethyl)urea?
1-tert-butyl-3-(piperidin-4-ylmethyl)urea has a molecular weight of 213.32 g/mol, XLogP of 1.08, 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-4-ylmethyl)urea is sourced from PubChem (CID 28786559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).