1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea

C20H31N3O2 — CID 110896011

IUPAC1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea
SMILESCC1CCN(Cc2ccccc2CNC(=O)N(CCO)C2CC2)CC1
InChIInChI=1S/C20H31N3O2/c1-16-8-10-22(11-9-16)15-18-5-3-2-4-17(18)14-21-20(25)23(12-13-24)19-6-7-19/h2-5,16,19,24H,6-15H2,1H3,(H,21,25)
InChIKeyUHWCMZJTJRCXPL-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.58
Rot. Bonds7

About 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea

1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea (PubChem CID 110896011) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea
PubChem CID110896011
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea
SMILESCC1CCN(Cc2ccccc2CNC(=O)N(CCO)C2CC2)CC1
InChIInChI=1S/C20H31N3O2/c1-16-8-10-22(11-9-16)15-18-5-3-2-4-17(18)14-21-20(25)23(12-13-24)19-6-7-19/h2-5,16,19,24H,6-15H2,1H3,(H,21,25)
InChIKeyUHWCMZJTJRCXPL-UHFFFAOYSA-N
XLogP2.58
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea with MolForge

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Related Compounds

2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46476891
2-(methylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119845171
2-amino-2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 119845143
2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 46469858
3-[[2-(4-chlorophenyl)phenyl]methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110923423
2-(4-aminophenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119845145
1-(1-hydroxybutan-2-yl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea
CID 110892388
methyl 1-[N'-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111253826
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 110895478
2-methyl-1-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110915687
1,5-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide
CID 55715573
4-(methylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
CID 119845148

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea?
The IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea (CID 110896011) is 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea?
The canonical SMILES for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea is CC1CCN(Cc2ccccc2CNC(=O)N(CCO)C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea?
The InChIKey is UHWCMZJTJRCXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-16-8-10-22(11-9-16)15-18-5-3-2-4-17(18)14-21-20(25)23(12-13-24)19-6-7-19/h2-5,16,19,24H,6-15H2,1H3,(H,21,25).
What are the key properties of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea?
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea has a molecular weight of 345.49 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea is sourced from PubChem (CID 110896011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).