1-[1-(4-chlorophenyl)piperidin-4-yl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea

C19H24ClN3O2S — CID 155950829

IUPAC1-[1-(4-chlorophenyl)piperidin-4-yl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea
SMILESO=C(NC1CCN(c2ccc(Cl)cc2)CC1)NC(CCO)c1cccs1
InChIInChI=1S/C19H24ClN3O2S/c20-14-3-5-16(6-4-14)23-10-7-15(8-11-23)21-19(25)22-17(9-12-24)18-2-1-13-26-18/h1-6,13,15,17,24H,7-12H2,(H2,21,22,25)
InChIKeyDTGRLJUMCQQKJR-UHFFFAOYSA-N
MW393.94 g/mol
LogP3.79
Rot. Bonds6

About 1-[1-(4-chlorophenyl)piperidin-4-yl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea

1-[1-(4-chlorophenyl)piperidin-4-yl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea (PubChem CID 155950829) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)piperidin-4-yl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)piperidin-4-yl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea
PubChem CID155950829
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC Name1-[1-(4-chlorophenyl)piperidin-4-yl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea
SMILESO=C(NC1CCN(c2ccc(Cl)cc2)CC1)NC(CCO)c1cccs1
InChIInChI=1S/C19H24ClN3O2S/c20-14-3-5-16(6-4-14)23-10-7-15(8-11-23)21-19(25)22-17(9-12-24)18-2-1-13-26-18/h1-6,13,15,17,24H,7-12H2,(H2,21,22,25)
InChIKeyDTGRLJUMCQQKJR-UHFFFAOYSA-N
XLogP3.79
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-1-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)urea
CID 111106612
N-[1-(4-chlorophenyl)-3-hydroxypropyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide
CID 166309726
1-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-(5-hydroxypentan-2-yl)urea
CID 110012736
1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea
CID 97096469
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-(2-morpholin-4-ylpropyl)urea
CID 136520756
2-(carbamoylamino)-N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-phenylpropanamide
CID 136520779
3-chloro-N-(3-hydroxy-1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 75393355
5-cyclopropyl-N-(3-hydroxy-1-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide
CID 139007445
1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea
CID 86820342
4-[[1-(4-chlorophenyl)pyrrolidin-3-yl]carbamoylamino]butanoic acid
CID 122009161
1-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 110012582
N-(1-phenylpyrrolidin-3-yl)thiophene-2-carboxamide
CID 110461992

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)piperidin-4-yl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea?
The IUPAC name of 1-[1-(4-chlorophenyl)piperidin-4-yl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea (CID 155950829) is 1-[1-(4-chlorophenyl)piperidin-4-yl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)piperidin-4-yl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)piperidin-4-yl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea is O=C(NC1CCN(c2ccc(Cl)cc2)CC1)NC(CCO)c1cccs1.
What is the InChIKey of 1-[1-(4-chlorophenyl)piperidin-4-yl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea?
The InChIKey is DTGRLJUMCQQKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2S/c20-14-3-5-16(6-4-14)23-10-7-15(8-11-23)21-19(25)22-17(9-12-24)18-2-1-13-26-18/h1-6,13,15,17,24H,7-12H2,(H2,21,22,25).
What are the key properties of 1-[1-(4-chlorophenyl)piperidin-4-yl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea?
1-[1-(4-chlorophenyl)piperidin-4-yl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea has a molecular weight of 393.94 g/mol, XLogP of 3.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)piperidin-4-yl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea is sourced from PubChem (CID 155950829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).