1-cyclopropyl-1-(3-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea

C17H33N3O — CID 87005504

IUPAC1-cyclopropyl-1-(3-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
SMILESCC(C)CCN(C(=O)NCCN1CCC(C)CC1)C1CC1
InChIInChI=1S/C17H33N3O/c1-14(2)6-12-20(16-4-5-16)17(21)18-9-13-19-10-7-15(3)8-11-19/h14-16H,4-13H2,1-3H3,(H,18,21)
InChIKeyHMICRSSOIUTYGT-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.94
Rot. Bonds7

About 1-cyclopropyl-1-(3-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea

1-cyclopropyl-1-(3-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea (PubChem CID 87005504) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-cyclopropyl-1-(3-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(3-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
PubChem CID87005504
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-cyclopropyl-1-(3-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
SMILESCC(C)CCN(C(=O)NCCN1CCC(C)CC1)C1CC1
InChIInChI=1S/C17H33N3O/c1-14(2)6-12-20(16-4-5-16)17(21)18-9-13-19-10-7-15(3)8-11-19/h14-16H,4-13H2,1-3H3,(H,18,21)
InChIKeyHMICRSSOIUTYGT-UHFFFAOYSA-N
XLogP2.94
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 61241466
2,2-difluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide
CID 103515570
3-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 61240080
1-(3-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
CID 111504648
2-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 79004991
3-[cyclopropyl(5-methylhexylcarbamoyl)amino]propanoic acid
CID 113287750
formaldehyde;4-methyl-1-(3-methylbutyl)piperidine
CID 143870022
(2R)-2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976332
1-cyclohexyl-1-ethyl-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
CID 55804443
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
CID 111454418
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 61266440
1-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434207

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(3-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-1-(3-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea (CID 87005504) is 1-cyclopropyl-1-(3-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-(3-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-1-(3-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea is CC(C)CCN(C(=O)NCCN1CCC(C)CC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(3-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea?
The InChIKey is HMICRSSOIUTYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-14(2)6-12-20(16-4-5-16)17(21)18-9-13-19-10-7-15(3)8-11-19/h14-16H,4-13H2,1-3H3,(H,18,21).
What are the key properties of 1-cyclopropyl-1-(3-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea?
1-cyclopropyl-1-(3-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea has a molecular weight of 295.47 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(3-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 87005504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).