N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide

C19H22N4O3S — CID 16953467

IUPACN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ncnc2c1CCC2)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H22N4O3S/c24-19(22-18-16-5-4-6-17(16)20-13-21-18)14-7-9-15(10-8-14)27(25,26)23-11-2-1-3-12-23/h7-10,13H,1-6,11-12H2,(H,20,21,22,24)
InChIKeyUGVCXOFYLMIXJJ-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.39
Rot. Bonds4

About N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide

N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 16953467) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide
PubChem CID16953467
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ncnc2c1CCC2)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H22N4O3S/c24-19(22-18-16-5-4-6-17(16)20-13-21-18)14-7-9-15(10-8-14)27(25,26)23-11-2-1-3-12-23/h7-10,13H,1-6,11-12H2,(H,20,21,22,24)
InChIKeyUGVCXOFYLMIXJJ-UHFFFAOYSA-N
XLogP2.39
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 16953507
4-(azepan-1-ylsulfonyl)-N-thieno[2,3-d]pyrimidin-4-ylbenzamide
CID 7615372
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
4-(azepan-1-ylsulfonyl)-N-[3-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-pyridinyl]benzamide
CID 3404667
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide
CID 26123612
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
N-(4-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2965881
4-(azepan-1-ylsulfonyl)-N-(3,4-dimethylphenyl)benzamide
CID 2600312
4-(azepan-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 2147569
N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2710141

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide (CID 16953467) is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide is O=C(Nc1ncnc2c1CCC2)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is UGVCXOFYLMIXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c24-19(22-18-16-5-4-6-17(16)20-13-21-18)14-7-9-15(10-8-14)27(25,26)23-11-2-1-3-12-23/h7-10,13H,1-6,11-12H2,(H,20,21,22,24).
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide?
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 386.48 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 16953467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).