1-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-3-(3-methylphenyl)urea

C17H27N3O2 — CID 97328121

IUPAC1-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-3-(3-methylphenyl)urea
SMILESCC[C@@H](O)CN1CCC(NC(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C17H27N3O2/c1-3-16(21)12-20-9-7-14(8-10-20)18-17(22)19-15-6-4-5-13(2)11-15/h4-6,11,14,16,21H,3,7-10,12H2,1-2H3,(H2,18,19,22)/t16-/m1/s1
InChIKeyFYDFVHKOBCBLNC-MRXNPFEDSA-N
MW305.42 g/mol
LogP2.35
Rot. Bonds5

About 1-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-3-(3-methylphenyl)urea

1-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-3-(3-methylphenyl)urea (PubChem CID 97328121) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-3-(3-methylphenyl)urea
PubChem CID97328121
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-3-(3-methylphenyl)urea
SMILESCC[C@@H](O)CN1CCC(NC(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C17H27N3O2/c1-3-16(21)12-20-9-7-14(8-10-20)18-17(22)19-15-6-4-5-13(2)11-15/h4-6,11,14,16,21H,3,7-10,12H2,1-2H3,(H2,18,19,22)/t16-/m1/s1
InChIKeyFYDFVHKOBCBLNC-MRXNPFEDSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-3-(3-methylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
1-[1-(2-hydroxybutyl)piperidin-4-yl]-3-(2-phenylphenyl)urea
CID 20598464
1-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-4-yl]-3-phenylurea
CID 86831832
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-N'-(3-methylphenyl)oxamide
CID 56803510
1-[1-(2-aminoethyl)piperidin-4-yl]-3-(3-fluorophenyl)urea
CID 63631483
N-(3-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide
CID 60695688
1-[1-[(2S)-2-hydroxybutyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)urea
CID 97335352
1-(1-ethylpiperidin-4-yl)-3-[3-(5-methylpyrazol-1-yl)phenyl]urea
CID 56827020
2-[4-(3-methylanilino)piperidin-1-yl]-1-phenylethanol
CID 111457377
ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate
CID 17423931
ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate
CID 5146893
1-[(1R,5R)-9-butyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(3-methylphenyl)urea
CID 7403457

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-3-(3-methylphenyl)urea (CID 97328121) is 1-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-3-(3-methylphenyl)urea is CC[C@@H](O)CN1CCC(NC(=O)Nc2cccc(C)c2)CC1.
What is the InChIKey of 1-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-3-(3-methylphenyl)urea?
The InChIKey is FYDFVHKOBCBLNC-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-3-16(21)12-20-9-7-14(8-10-20)18-17(22)19-15-6-4-5-13(2)11-15/h4-6,11,14,16,21H,3,7-10,12H2,1-2H3,(H2,18,19,22)/t16-/m1/s1.
What are the key properties of 1-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-3-(3-methylphenyl)urea?
1-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-3-(3-methylphenyl)urea has a molecular weight of 305.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 97328121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).