1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[(2-piperidin-1-ylphenyl)methyl]urea

C19H29N3O2 — CID 110013047

IUPAC1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[(2-piperidin-1-ylphenyl)methyl]urea
SMILESCN(CC(O)C1CC1)C(=O)NCc1ccccc1N1CCCCC1
InChIInChI=1S/C19H29N3O2/c1-21(14-18(23)15-9-10-15)19(24)20-13-16-7-3-4-8-17(16)22-11-5-2-6-12-22/h3-4,7-8,15,18,23H,2,5-6,9-14H2,1H3,(H,20,24)
InChIKeyVTCBKMDPKRHHDO-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.59
Rot. Bonds6

About 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[(2-piperidin-1-ylphenyl)methyl]urea

1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[(2-piperidin-1-ylphenyl)methyl]urea (PubChem CID 110013047) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[(2-piperidin-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[(2-piperidin-1-ylphenyl)methyl]urea
PubChem CID110013047
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[(2-piperidin-1-ylphenyl)methyl]urea
SMILESCN(CC(O)C1CC1)C(=O)NCc1ccccc1N1CCCCC1
InChIInChI=1S/C19H29N3O2/c1-21(14-18(23)15-9-10-15)19(24)20-13-16-7-3-4-8-17(16)22-11-5-2-6-12-22/h3-4,7-8,15,18,23H,2,5-6,9-14H2,1H3,(H,20,24)
InChIKeyVTCBKMDPKRHHDO-UHFFFAOYSA-N
XLogP2.59
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-cyclobutyloxyphenyl)methyl]-1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-1-methylurea
CID 97223766
1-cyclopropyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]ethanol
CID 63294792
2-acetamido-2-cyclopentyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 55981326
1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 95762745
1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 62405544
3-(2-cyclobutyl-1-phenylethyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 110012924
N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
(2R)-2-methoxy-2-phenyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 94866137
1-(2-cyclopropyl-2-hydroxyethyl)-3-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methylurea
CID 84586728
4-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025212
3-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-1-methylurea
CID 97061097

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[(2-piperidin-1-ylphenyl)methyl]urea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[(2-piperidin-1-ylphenyl)methyl]urea (CID 110013047) is 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[(2-piperidin-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[(2-piperidin-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[(2-piperidin-1-ylphenyl)methyl]urea is CN(CC(O)C1CC1)C(=O)NCc1ccccc1N1CCCCC1.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[(2-piperidin-1-ylphenyl)methyl]urea?
The InChIKey is VTCBKMDPKRHHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-21(14-18(23)15-9-10-15)19(24)20-13-16-7-3-4-8-17(16)22-11-5-2-6-12-22/h3-4,7-8,15,18,23H,2,5-6,9-14H2,1H3,(H,20,24).
What are the key properties of 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[(2-piperidin-1-ylphenyl)methyl]urea?
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[(2-piperidin-1-ylphenyl)methyl]urea has a molecular weight of 331.46 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[(2-piperidin-1-ylphenyl)methyl]urea is sourced from PubChem (CID 110013047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).