1-(3-hydroxybutyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea

C17H27N3O2 — CID 111443368

IUPAC1-(3-hydroxybutyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
SMILESCC(O)CCNC(=O)Nc1cccc(N2CCC(C)CC2)c1
InChIInChI=1S/C17H27N3O2/c1-13-7-10-20(11-8-13)16-5-3-4-15(12-16)19-17(22)18-9-6-14(2)21/h3-5,12-14,21H,6-11H2,1-2H3,(H2,18,19,22)
InChIKeySZTCANNKJWWIAV-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.82
Rot. Bonds5

About 1-(3-hydroxybutyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea

1-(3-hydroxybutyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea (PubChem CID 111443368) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-(3-hydroxybutyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-hydroxybutyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
PubChem CID111443368
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-(3-hydroxybutyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
SMILESCC(O)CCNC(=O)Nc1cccc(N2CCC(C)CC2)c1
InChIInChI=1S/C17H27N3O2/c1-13-7-10-20(11-8-13)16-5-3-4-15(12-16)19-17(22)18-9-6-14(2)21/h3-5,12-14,21H,6-11H2,1-2H3,(H2,18,19,22)
InChIKeySZTCANNKJWWIAV-UHFFFAOYSA-N
XLogP2.82
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylbutyl)-3-(3-pyrrolidin-1-ylphenyl)urea
CID 52738068
1-[3-(4-methylpiperidin-1-yl)phenyl]-3-[(2R)-2-sulfamoylpropyl]urea
CID 97253655
4-[[[3-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]methyl]benzoic acid
CID 122085263
3-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]butanamide;dihydrochloride
CID 119892250
1-(4-hydroxycyclohexyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 111443366
1-(3-bromophenyl)-3-(3-hydroxybutyl)urea
CID 111336733
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 111636999
1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-(3-pyrrolidin-1-ylphenyl)urea
CID 95150446
5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122102444
1-[2-(3-chlorophenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108991011
1-[(3R)-3-hydroxybutyl]-1-methyl-3-(3-pyrrolidin-1-ylphenyl)urea
CID 97222637
1-(3-hydroxybutyl)-3-naphthalen-2-ylurea
CID 111336742

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea?
The IUPAC name of 1-(3-hydroxybutyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea (CID 111443368) is 1-(3-hydroxybutyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-(3-hydroxybutyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea?
The canonical SMILES for 1-(3-hydroxybutyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea is CC(O)CCNC(=O)Nc1cccc(N2CCC(C)CC2)c1.
What is the InChIKey of 1-(3-hydroxybutyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea?
The InChIKey is SZTCANNKJWWIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13-7-10-20(11-8-13)16-5-3-4-15(12-16)19-17(22)18-9-6-14(2)21/h3-5,12-14,21H,6-11H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-(3-hydroxybutyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea?
1-(3-hydroxybutyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea has a molecular weight of 305.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea is sourced from PubChem (CID 111443368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).