1-[3-(4-methylpiperidin-1-yl)phenyl]-3-[(2R)-2-sulfamoylpropyl]urea

C16H26N4O3S — CID 97253655

IUPAC1-[3-(4-methylpiperidin-1-yl)phenyl]-3-[(2R)-2-sulfamoylpropyl]urea
SMILESCC1CCN(c2cccc(NC(=O)NC[C@@H](C)S(N)(=O)=O)c2)CC1
InChIInChI=1S/C16H26N4O3S/c1-12-6-8-20(9-7-12)15-5-3-4-14(10-15)19-16(21)18-11-13(2)24(17,22)23/h3-5,10,12-13H,6-9,11H2,1-2H3,(H2,17,22,23)(H2,18,19,21)/t13-/m1/s1
InChIKeyLXVFPCDCNSVNRP-CYBMUJFWSA-N
MW354.48 g/mol
LogP1.72
Rot. Bonds5

About 1-[3-(4-methylpiperidin-1-yl)phenyl]-3-[(2R)-2-sulfamoylpropyl]urea

1-[3-(4-methylpiperidin-1-yl)phenyl]-3-[(2R)-2-sulfamoylpropyl]urea (PubChem CID 97253655) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-[3-(4-methylpiperidin-1-yl)phenyl]-3-[(2R)-2-sulfamoylpropyl]urea.

Molecular Properties

Compound Name1-[3-(4-methylpiperidin-1-yl)phenyl]-3-[(2R)-2-sulfamoylpropyl]urea
PubChem CID97253655
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name1-[3-(4-methylpiperidin-1-yl)phenyl]-3-[(2R)-2-sulfamoylpropyl]urea
SMILESCC1CCN(c2cccc(NC(=O)NC[C@@H](C)S(N)(=O)=O)c2)CC1
InChIInChI=1S/C16H26N4O3S/c1-12-6-8-20(9-7-12)15-5-3-4-14(10-15)19-16(21)18-11-13(2)24(17,22)23/h3-5,10,12-13H,6-9,11H2,1-2H3,(H2,17,22,23)(H2,18,19,21)/t13-/m1/s1
InChIKeyLXVFPCDCNSVNRP-CYBMUJFWSA-N
XLogP1.72
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxybutyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 111443368
3-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]butanamide;dihydrochloride
CID 119892250
4-[[[3-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]methyl]benzoic acid
CID 122085263
1-(4-hydroxycyclohexyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 111443366
1-(3-chlorophenyl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
CID 42473222
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 111636999
1-(3-methylbutyl)-3-(3-pyrrolidin-1-ylphenyl)urea
CID 52738068
2-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-phenylpropanamide
CID 120597159
N,N-dimethyl-2-[3-(4-methylpiperidin-1-yl)anilino]propane-1-sulfonamide
CID 146144918
(2S,5R)-5-(aminomethyl)-N-[3-(4-methylpiperidin-1-yl)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120800987
1-[2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrrol-1-ylphenyl)urea
CID 56584237
1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-(3-pyrrolidin-1-ylphenyl)urea
CID 95150446

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpiperidin-1-yl)phenyl]-3-[(2R)-2-sulfamoylpropyl]urea?
The IUPAC name of 1-[3-(4-methylpiperidin-1-yl)phenyl]-3-[(2R)-2-sulfamoylpropyl]urea (CID 97253655) is 1-[3-(4-methylpiperidin-1-yl)phenyl]-3-[(2R)-2-sulfamoylpropyl]urea.
What is the SMILES notation for 1-[3-(4-methylpiperidin-1-yl)phenyl]-3-[(2R)-2-sulfamoylpropyl]urea?
The canonical SMILES for 1-[3-(4-methylpiperidin-1-yl)phenyl]-3-[(2R)-2-sulfamoylpropyl]urea is CC1CCN(c2cccc(NC(=O)NC[C@@H](C)S(N)(=O)=O)c2)CC1.
What is the InChIKey of 1-[3-(4-methylpiperidin-1-yl)phenyl]-3-[(2R)-2-sulfamoylpropyl]urea?
The InChIKey is LXVFPCDCNSVNRP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-12-6-8-20(9-7-12)15-5-3-4-14(10-15)19-16(21)18-11-13(2)24(17,22)23/h3-5,10,12-13H,6-9,11H2,1-2H3,(H2,17,22,23)(H2,18,19,21)/t13-/m1/s1.
What are the key properties of 1-[3-(4-methylpiperidin-1-yl)phenyl]-3-[(2R)-2-sulfamoylpropyl]urea?
1-[3-(4-methylpiperidin-1-yl)phenyl]-3-[(2R)-2-sulfamoylpropyl]urea has a molecular weight of 354.48 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpiperidin-1-yl)phenyl]-3-[(2R)-2-sulfamoylpropyl]urea is sourced from PubChem (CID 97253655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).