1-(3-chloro-4-piperidin-1-ylphenyl)-3-(3-hydroxypropyl)urea

C15H22ClN3O2 — CID 60611854

IUPAC1-(3-chloro-4-piperidin-1-ylphenyl)-3-(3-hydroxypropyl)urea
SMILESO=C(NCCCO)Nc1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C15H22ClN3O2/c16-13-11-12(18-15(21)17-7-4-10-20)5-6-14(13)19-8-2-1-3-9-19/h5-6,11,20H,1-4,7-10H2,(H2,17,18,21)
InChIKeyTXCSBDSYWHHOBH-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.83
Rot. Bonds5

About 1-(3-chloro-4-piperidin-1-ylphenyl)-3-(3-hydroxypropyl)urea

1-(3-chloro-4-piperidin-1-ylphenyl)-3-(3-hydroxypropyl)urea (PubChem CID 60611854) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 1-(3-chloro-4-piperidin-1-ylphenyl)-3-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-piperidin-1-ylphenyl)-3-(3-hydroxypropyl)urea
PubChem CID60611854
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name1-(3-chloro-4-piperidin-1-ylphenyl)-3-(3-hydroxypropyl)urea
SMILESO=C(NCCCO)Nc1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C15H22ClN3O2/c16-13-11-12(18-15(21)17-7-4-10-20)5-6-14(13)19-8-2-1-3-9-19/h5-6,11,20H,1-4,7-10H2,(H2,17,18,21)
InChIKeyTXCSBDSYWHHOBH-UHFFFAOYSA-N
XLogP2.83
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-pyrrolidin-1-ylphenyl)-3-(2-hydroxyethyl)urea
CID 111426564
1-(3-chloro-4-pyrrolidin-1-ylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754895
1-(3-chloro-4-piperidin-1-ylphenyl)-3-(furan-2-ylmethyl)urea
CID 60590963
1-butyl-3-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]urea
CID 42751582
3-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-piperidin-1-ylbenzoyl]amino]propyl hypochlorite
CID 143368272
1-(3-butoxypropyl)-3-(3-chloro-4-thiomorpholin-4-ylphenyl)urea
CID 60611816
N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxyacetamide
CID 47296916
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
1-(3-chloro-4-thiomorpholin-4-ylphenyl)-3-(3-imidazol-1-ylpropyl)urea
CID 60612019
5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3260050
5-[(3-chloro-4-methylphenyl)carbamoylamino]-N-(3-ethoxypropyl)-2-piperidin-1-ylbenzamide
CID 3895731

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-piperidin-1-ylphenyl)-3-(3-hydroxypropyl)urea?
The IUPAC name of 1-(3-chloro-4-piperidin-1-ylphenyl)-3-(3-hydroxypropyl)urea (CID 60611854) is 1-(3-chloro-4-piperidin-1-ylphenyl)-3-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-(3-chloro-4-piperidin-1-ylphenyl)-3-(3-hydroxypropyl)urea?
The canonical SMILES for 1-(3-chloro-4-piperidin-1-ylphenyl)-3-(3-hydroxypropyl)urea is O=C(NCCCO)Nc1ccc(N2CCCCC2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-piperidin-1-ylphenyl)-3-(3-hydroxypropyl)urea?
The InChIKey is TXCSBDSYWHHOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c16-13-11-12(18-15(21)17-7-4-10-20)5-6-14(13)19-8-2-1-3-9-19/h5-6,11,20H,1-4,7-10H2,(H2,17,18,21).
What are the key properties of 1-(3-chloro-4-piperidin-1-ylphenyl)-3-(3-hydroxypropyl)urea?
1-(3-chloro-4-piperidin-1-ylphenyl)-3-(3-hydroxypropyl)urea has a molecular weight of 311.81 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-piperidin-1-ylphenyl)-3-(3-hydroxypropyl)urea is sourced from PubChem (CID 60611854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).