1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea

C16H23N3O3S — CID 51273906

IUPAC1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC1CC1
InChIInChI=1S/C16H23N3O3S/c20-16(18-14-6-7-14)17-12-13-4-8-15(9-5-13)23(21,22)19-10-2-1-3-11-19/h4-5,8-9,14H,1-3,6-7,10-12H2,(H2,17,18,20)
InChIKeyQSWVIOQPCDKMSH-UHFFFAOYSA-N
MW337.44 g/mol
LogP1.82
Rot. Bonds5

About 1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea

1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea (PubChem CID 51273906) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
PubChem CID51273906
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC1CC1
InChIInChI=1S/C16H23N3O3S/c20-16(18-14-6-7-14)17-12-13-4-8-15(9-5-13)23(21,22)19-10-2-1-3-11-19/h4-5,8-9,14H,1-3,6-7,10-12H2,(H2,17,18,20)
InChIKeyQSWVIOQPCDKMSH-UHFFFAOYSA-N
XLogP1.82
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 51197507
N-[2-oxo-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 55634285
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875
2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 51198880
2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 17248916
1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 55768822
(3S)-1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562114
2-(4-hydroxyphenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 78806095
1-(4-chlorophenyl)-3-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]urea
CID 108782077
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 7555500
2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108759219
2-methyl-1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318580

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea (CID 51273906) is 1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea is O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea?
The InChIKey is QSWVIOQPCDKMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c20-16(18-14-6-7-14)17-12-13-4-8-15(9-5-13)23(21,22)19-10-2-1-3-11-19/h4-5,8-9,14H,1-3,6-7,10-12H2,(H2,17,18,20).
What are the key properties of 1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea?
1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea has a molecular weight of 337.44 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea is sourced from PubChem (CID 51273906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).