3-benzyl-1-(2-methylcyclopropyl)-1-(1-methylpiperidin-4-yl)urea

C18H27N3O — CID 142021467

IUPAC3-benzyl-1-(2-methylcyclopropyl)-1-(1-methylpiperidin-4-yl)urea
SMILESCC1CC1N(C(=O)NCc1ccccc1)C1CCN(C)CC1
InChIInChI=1S/C18H27N3O/c1-14-12-17(14)21(16-8-10-20(2)11-9-16)18(22)19-13-15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3,(H,19,22)
InChIKeyPFULFNPUYJHCAS-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.70
Rot. Bonds4

About 3-benzyl-1-(2-methylcyclopropyl)-1-(1-methylpiperidin-4-yl)urea

3-benzyl-1-(2-methylcyclopropyl)-1-(1-methylpiperidin-4-yl)urea (PubChem CID 142021467) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-benzyl-1-(2-methylcyclopropyl)-1-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name3-benzyl-1-(2-methylcyclopropyl)-1-(1-methylpiperidin-4-yl)urea
PubChem CID142021467
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name3-benzyl-1-(2-methylcyclopropyl)-1-(1-methylpiperidin-4-yl)urea
SMILESCC1CC1N(C(=O)NCc1ccccc1)C1CCN(C)CC1
InChIInChI=1S/C18H27N3O/c1-14-12-17(14)21(16-8-10-20(2)11-9-16)18(22)19-13-15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3,(H,19,22)
InChIKeyPFULFNPUYJHCAS-UHFFFAOYSA-N
XLogP2.70
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-(2-methylcyclopropyl)-N-(1-methylpiperidin-4-yl)carbamate
CID 142021413
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
1-ethyl-3-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 142021620
N-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 110874461
1-ethyl-1-(1-methylpiperidin-4-yl)-3-[(4-nitrosophenyl)methyl]urea
CID 142021505
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 104954561
3-benzyl-1-hydroxy-1-methylurea
CID 22900753
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
1-(1-methylpiperidin-4-yl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-1-(2-phenylethyl)urea
CID 126444584
benzyl N-(2-methylcyclopropyl)-N-(1-methylpiperidin-4-yl)carbamate;(2R)-2-cyclohexyl-2-(3-phenylpyrrolidin-1-yl)acetic acid
CID 142021412
3-benzyl-1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]urea
CID 107653183

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(2-methylcyclopropyl)-1-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 3-benzyl-1-(2-methylcyclopropyl)-1-(1-methylpiperidin-4-yl)urea (CID 142021467) is 3-benzyl-1-(2-methylcyclopropyl)-1-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 3-benzyl-1-(2-methylcyclopropyl)-1-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 3-benzyl-1-(2-methylcyclopropyl)-1-(1-methylpiperidin-4-yl)urea is CC1CC1N(C(=O)NCc1ccccc1)C1CCN(C)CC1.
What is the InChIKey of 3-benzyl-1-(2-methylcyclopropyl)-1-(1-methylpiperidin-4-yl)urea?
The InChIKey is PFULFNPUYJHCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14-12-17(14)21(16-8-10-20(2)11-9-16)18(22)19-13-15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3,(H,19,22).
What are the key properties of 3-benzyl-1-(2-methylcyclopropyl)-1-(1-methylpiperidin-4-yl)urea?
3-benzyl-1-(2-methylcyclopropyl)-1-(1-methylpiperidin-4-yl)urea has a molecular weight of 301.43 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(2-methylcyclopropyl)-1-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 142021467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).