1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea

C15H29N3O2 — CID 111618380

IUPAC1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea
SMILESCC(C)(CNC(=O)NCC1(CO)CC1)N1CCCCC1
InChIInChI=1S/C15H29N3O2/c1-14(2,18-8-4-3-5-9-18)10-16-13(20)17-11-15(12-19)6-7-15/h19H,3-12H2,1-2H3,(H2,16,17,20)
InChIKeyLHNOAGFLXDJMDC-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.32
Rot. Bonds6

About 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea (PubChem CID 111618380) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea
PubChem CID111618380
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea
SMILESCC(C)(CNC(=O)NCC1(CO)CC1)N1CCCCC1
InChIInChI=1S/C15H29N3O2/c1-14(2,18-8-4-3-5-9-18)10-16-13(20)17-11-15(12-19)6-7-15/h19H,3-12H2,1-2H3,(H2,16,17,20)
InChIKeyLHNOAGFLXDJMDC-UHFFFAOYSA-N
XLogP1.32
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618569
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 110911642
1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 111120835
1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 111503992
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea
CID 79461046
1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 111453991
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea
CID 111573291
1-(2-methyl-2-piperidin-1-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 55684161
1-(3,3-dimethylbutan-2-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618872
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 111618803
2,2-dichloro-1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)cyclopropane-1-carboxamide
CID 78785737
1-amino-N-(2-methyl-2-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 61248465

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea (CID 111618380) is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea is CC(C)(CNC(=O)NCC1(CO)CC1)N1CCCCC1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
The InChIKey is LHNOAGFLXDJMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-14(2,18-8-4-3-5-9-18)10-16-13(20)17-11-15(12-19)6-7-15/h19H,3-12H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea has a molecular weight of 283.42 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea is sourced from PubChem (CID 111618380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).