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

C19H31N3O2 — CID 111450528

IUPAC1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
SMILESCC1CCCN(CCNC(=O)NCC(CCO)c2ccccc2)C1
InChIInChI=1S/C19H31N3O2/c1-16-6-5-11-22(15-16)12-10-20-19(24)21-14-18(9-13-23)17-7-3-2-4-8-17/h2-4,7-8,16,18,23H,5-6,9-15H2,1H3,(H2,20,21,24)
InChIKeyJCMRVPVGTRYNHH-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.18
Rot. Bonds8

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

1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea (PubChem CID 111450528) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
PubChem CID111450528
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
SMILESCC1CCCN(CCNC(=O)NCC(CCO)c2ccccc2)C1
InChIInChI=1S/C19H31N3O2/c1-16-6-5-11-22(15-16)12-10-20-19(24)21-14-18(9-13-23)17-7-3-2-4-8-17/h2-4,7-8,16,18,23H,5-6,9-15H2,1H3,(H2,20,21,24)
InChIKeyJCMRVPVGTRYNHH-UHFFFAOYSA-N
XLogP2.18
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]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-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)propyl]urea
CID 111450668
N-benzhydryl-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 2681889
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[4-(3-methylpiperidin-1-yl)butyl]urea
CID 110911703
1-(3-indol-1-ylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
CID 78882953
3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide
CID 110024824
2-[3-(3-methylpiperidin-1-yl)propanoylamino]-2-phenylacetic acid
CID 53215856
1-[2-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]ethylcarbamoylamino]phenyl]-3-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]urea
CID 51961645
1-[2-methyl-5-[2-[(3R)-3-methylpiperidin-1-yl]ethylcarbamoylamino]phenyl]-3-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]urea
CID 99845473
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
CID 55766889
1-(1-cyclopropylpiperidin-4-yl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111450416
N-(4-hydroxy-2-phenylbutyl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 110012592
1-cyclobutyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea
CID 111506748

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea (CID 111450528) is 1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea is CC1CCCN(CCNC(=O)NCC(CCO)c2ccccc2)C1.
What is the InChIKey of 1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea?
The InChIKey is JCMRVPVGTRYNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-16-6-5-11-22(15-16)12-10-20-19(24)21-14-18(9-13-23)17-7-3-2-4-8-17/h2-4,7-8,16,18,23H,5-6,9-15H2,1H3,(H2,20,21,24).
What are the key properties of 1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea?
1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea has a molecular weight of 333.48 g/mol, XLogP of 2.18, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 111450528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).