1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-piperidin-1-ylpropan-2-yl)urea

C15H31N3O2 — CID 111504674

IUPAC1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-piperidin-1-ylpropan-2-yl)urea
SMILESCC(CN1CCCCC1)NC(=O)NCC(C)(C)CCO
InChIInChI=1S/C15H31N3O2/c1-13(11-18-8-5-4-6-9-18)17-14(20)16-12-15(2,3)7-10-19/h13,19H,4-12H2,1-3H3,(H2,16,17,20)
InChIKeyVHKKATMIFCIVES-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.57
Rot. Bonds7

About 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-piperidin-1-ylpropan-2-yl)urea

1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-piperidin-1-ylpropan-2-yl)urea (PubChem CID 111504674) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-piperidin-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-piperidin-1-ylpropan-2-yl)urea
PubChem CID111504674
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-piperidin-1-ylpropan-2-yl)urea
SMILESCC(CN1CCCCC1)NC(=O)NCC(C)(C)CCO
InChIInChI=1S/C15H31N3O2/c1-13(11-18-8-5-4-6-9-18)17-14(20)16-12-15(2,3)7-10-19/h13,19H,4-12H2,1-3H3,(H2,16,17,20)
InChIKeyVHKKATMIFCIVES-UHFFFAOYSA-N
XLogP1.57
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590502
2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid
CID 61499964
1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111507119
1-propyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590520
N-(4-hydroxy-2,2-dimethylbutyl)piperidine-1-carboxamide
CID 103713759
(2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 54953860
2-amino-3,3-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)butanamide
CID 76893128
1-butyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590501
3-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 54953755
1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 115579826
2-methyl-2-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)propanamide
CID 55122215
N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217024

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-piperidin-1-ylpropan-2-yl)urea?
The IUPAC name of 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-piperidin-1-ylpropan-2-yl)urea (CID 111504674) is 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-piperidin-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-piperidin-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-piperidin-1-ylpropan-2-yl)urea is CC(CN1CCCCC1)NC(=O)NCC(C)(C)CCO.
What is the InChIKey of 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-piperidin-1-ylpropan-2-yl)urea?
The InChIKey is VHKKATMIFCIVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-13(11-18-8-5-4-6-9-18)17-14(20)16-12-15(2,3)7-10-19/h13,19H,4-12H2,1-3H3,(H2,16,17,20).
What are the key properties of 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-piperidin-1-ylpropan-2-yl)urea?
1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-piperidin-1-ylpropan-2-yl)urea has a molecular weight of 285.43 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-piperidin-1-ylpropan-2-yl)urea is sourced from PubChem (CID 111504674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).