1-(2-hydroxy-1-phenylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea

C17H27N3O2 — CID 110933484

IUPAC1-(2-hydroxy-1-phenylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
SMILESCN1CCC(CCNC(=O)NC(CO)c2ccccc2)CC1
InChIInChI=1S/C17H27N3O2/c1-20-11-8-14(9-12-20)7-10-18-17(22)19-16(13-21)15-5-3-2-4-6-15/h2-6,14,16,21H,7-13H2,1H3,(H2,18,19,22)
InChIKeyGMXSDKCELRXWDW-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.75
Rot. Bonds6

About 1-(2-hydroxy-1-phenylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea

1-(2-hydroxy-1-phenylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea (PubChem CID 110933484) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-(2-hydroxy-1-phenylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-1-phenylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
PubChem CID110933484
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-(2-hydroxy-1-phenylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
SMILESCN1CCC(CCNC(=O)NC(CO)c2ccccc2)CC1
InChIInChI=1S/C17H27N3O2/c1-20-11-8-14(9-12-20)7-10-18-17(22)19-16(13-21)15-5-3-2-4-6-15/h2-6,14,16,21H,7-13H2,1H3,(H2,18,19,22)
InChIKeyGMXSDKCELRXWDW-UHFFFAOYSA-N
XLogP1.75
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylacetamide
CID 50875243
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 95638289
1-butyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 94740192
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
CID 72860951
N-(2-hydroxy-1-phenylethyl)-4-methylmorpholine-2-carboxamide
CID 110001398
1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 59924188
1-[2-[benzyl(methyl)amino]ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110903342
4-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]butanoic acid
CID 122022193
3-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]-N,N-dimethylpropanamide
CID 122566906
(2S)-2-(2-cyclopentylethylcarbamoylamino)-2-phenylacetic acid
CID 103995518
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 111618803
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenoxyacetamide
CID 50875305

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
The IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea (CID 110933484) is 1-(2-hydroxy-1-phenylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea.
What is the SMILES notation for 1-(2-hydroxy-1-phenylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
The canonical SMILES for 1-(2-hydroxy-1-phenylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea is CN1CCC(CCNC(=O)NC(CO)c2ccccc2)CC1.
What is the InChIKey of 1-(2-hydroxy-1-phenylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
The InChIKey is GMXSDKCELRXWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-20-11-8-14(9-12-20)7-10-18-17(22)19-16(13-21)15-5-3-2-4-6-15/h2-6,14,16,21H,7-13H2,1H3,(H2,18,19,22).
What are the key properties of 1-(2-hydroxy-1-phenylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
1-(2-hydroxy-1-phenylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea has a molecular weight of 305.42 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-phenylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea is sourced from PubChem (CID 110933484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).