1-(1-cyclopropylpiperidin-4-yl)-3-[2-methyl-3-(propan-2-yloxymethyl)phenyl]urea

C20H31N3O2 — CID 71991924

IUPAC1-(1-cyclopropylpiperidin-4-yl)-3-[2-methyl-3-(propan-2-yloxymethyl)phenyl]urea
SMILESCc1c(COC(C)C)cccc1NC(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C20H31N3O2/c1-14(2)25-13-16-5-4-6-19(15(16)3)22-20(24)21-17-9-11-23(12-10-17)18-7-8-18/h4-6,14,17-18H,7-13H2,1-3H3,(H2,21,22,24)
InChIKeySIWKZGSKGRHRER-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.67
Rot. Bonds6

About 1-(1-cyclopropylpiperidin-4-yl)-3-[2-methyl-3-(propan-2-yloxymethyl)phenyl]urea

1-(1-cyclopropylpiperidin-4-yl)-3-[2-methyl-3-(propan-2-yloxymethyl)phenyl]urea (PubChem CID 71991924) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-(1-cyclopropylpiperidin-4-yl)-3-[2-methyl-3-(propan-2-yloxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-(1-cyclopropylpiperidin-4-yl)-3-[2-methyl-3-(propan-2-yloxymethyl)phenyl]urea
PubChem CID71991924
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-(1-cyclopropylpiperidin-4-yl)-3-[2-methyl-3-(propan-2-yloxymethyl)phenyl]urea
SMILESCc1c(COC(C)C)cccc1NC(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C20H31N3O2/c1-14(2)25-13-16-5-4-6-19(15(16)3)22-20(24)21-17-9-11-23(12-10-17)18-7-8-18/h4-6,14,17-18H,7-13H2,1-3H3,(H2,21,22,24)
InChIKeySIWKZGSKGRHRER-UHFFFAOYSA-N
XLogP3.67
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-hydroxy-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 75482281
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CID 99632749
1-[[(1S,3S)-3-hydroxycyclopentyl]methyl]-3-[2-methyl-3-(propan-2-yloxymethyl)phenyl]urea
CID 99828844
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CID 6470893
1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
CID 17457458
1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea
CID 86986878
1-(1-cyclopropylpiperidin-4-yl)-3-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]urea
CID 86994951
1-(1-benzyl-2-oxo-3-pyridinyl)-3-(1-cyclopropylpiperidin-4-yl)urea
CID 71856012
2-methyl-1,3-bis(propan-2-yloxymethyl)benzene
CID 101195448
1-cyclobutyl-3-(3-hydroxy-2-methylphenyl)urea
CID 116658389
1-(3-methylphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea
CID 71017736
1-(1-cyclopropylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-[2-methyl-3-(propan-2-yloxymethyl)phenyl]urea?
The IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-[2-methyl-3-(propan-2-yloxymethyl)phenyl]urea (CID 71991924) is 1-(1-cyclopropylpiperidin-4-yl)-3-[2-methyl-3-(propan-2-yloxymethyl)phenyl]urea.
What is the SMILES notation for 1-(1-cyclopropylpiperidin-4-yl)-3-[2-methyl-3-(propan-2-yloxymethyl)phenyl]urea?
The canonical SMILES for 1-(1-cyclopropylpiperidin-4-yl)-3-[2-methyl-3-(propan-2-yloxymethyl)phenyl]urea is Cc1c(COC(C)C)cccc1NC(=O)NC1CCN(C2CC2)CC1.
What is the InChIKey of 1-(1-cyclopropylpiperidin-4-yl)-3-[2-methyl-3-(propan-2-yloxymethyl)phenyl]urea?
The InChIKey is SIWKZGSKGRHRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-14(2)25-13-16-5-4-6-19(15(16)3)22-20(24)21-17-9-11-23(12-10-17)18-7-8-18/h4-6,14,17-18H,7-13H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-(1-cyclopropylpiperidin-4-yl)-3-[2-methyl-3-(propan-2-yloxymethyl)phenyl]urea?
1-(1-cyclopropylpiperidin-4-yl)-3-[2-methyl-3-(propan-2-yloxymethyl)phenyl]urea has a molecular weight of 345.49 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpiperidin-4-yl)-3-[2-methyl-3-(propan-2-yloxymethyl)phenyl]urea is sourced from PubChem (CID 71991924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).