1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea

C21H34N4O4S — CID 55768822

IUPAC1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
SMILESCC(C)CN1CCC(NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C21H34N4O4S/c1-17(2)16-24-9-7-19(8-10-24)23-21(26)22-15-18-3-5-20(6-4-18)30(27,28)25-11-13-29-14-12-25/h3-6,17,19H,7-16H2,1-2H3,(H2,22,23,26)
InChIKeyUCCWZCOWEDYVAX-UHFFFAOYSA-N
MW438.59 g/mol
LogP1.63
Rot. Bonds7

About 1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea

1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea (PubChem CID 55768822) has the molecular formula C21H34N4O4S and a molecular weight of 438.59 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
PubChem CID55768822
Molecular FormulaC21H34N4O4S
Molecular Weight438.59 g/mol
Exact Mass438.23
IUPAC Name1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
SMILESCC(C)CN1CCC(NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C21H34N4O4S/c1-17(2)16-24-9-7-19(8-10-24)23-21(26)22-15-18-3-5-20(6-4-18)30(27,28)25-11-13-29-14-12-25/h3-6,17,19H,7-16H2,1-2H3,(H2,22,23,26)
InChIKeyUCCWZCOWEDYVAX-UHFFFAOYSA-N
XLogP1.63
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.59
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea with MolForge

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Related Compounds

1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 51273906
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529
1-[[4-(methylsulfonylmethyl)phenyl]methyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 55909489
2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide
CID 18148823
1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 55768855
(2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271587
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
CID 30126407
(2S)-2-amino-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pentanamide;hydrochloride
CID 119690168
2-methyl-3-(methylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 119690147
4-tert-butyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclohexane-1-carboxamide
CID 9391433
1-[(4-bromo-3-fluorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 51128647
2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 119690125

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea?
The IUPAC name of 1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea (CID 55768822) is 1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea.
What is the SMILES notation for 1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea?
The canonical SMILES for 1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea is CC(C)CN1CCC(NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1.
What is the InChIKey of 1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea?
The InChIKey is UCCWZCOWEDYVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O4S/c1-17(2)16-24-9-7-19(8-10-24)23-21(26)22-15-18-3-5-20(6-4-18)30(27,28)25-11-13-29-14-12-25/h3-6,17,19H,7-16H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea?
1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea has a molecular weight of 438.59 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea is sourced from PubChem (CID 55768822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).