N-[4-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide

C19H27N3O4S — CID 41009001

IUPACN-[4-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1
InChIInChI=1S/C19H27N3O4S/c1-15(23)20-17-7-9-18(10-8-17)27(25,26)22-13-5-6-16(14-22)19(24)21-11-3-2-4-12-21/h7-10,16H,2-6,11-14H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyXVAOKCBTPOYZOY-MRXNPFEDSA-N
MW393.51 g/mol
LogP2.06
Rot. Bonds4

About N-[4-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide

N-[4-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 41009001) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[4-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID41009001
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-[4-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1
InChIInChI=1S/C19H27N3O4S/c1-15(23)20-17-7-9-18(10-8-17)27(25,26)22-13-5-6-16(14-22)19(24)21-11-3-2-4-12-21/h7-10,16H,2-6,11-14H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyXVAOKCBTPOYZOY-MRXNPFEDSA-N
XLogP2.06
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3S)-3-(thiomorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 40900598
N-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 26947333
azepan-1-yl-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]methanone
CID 41302489
azepan-1-yl-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1090468
methyl N-[4-[(3R)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]carbamate
CID 1190354
[1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 55406673
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 2931612
azepan-1-yl-[1-[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]methanone
CID 45354498
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3236130
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
1-(4-acetamidophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide
CID 58702055

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide (CID 41009001) is N-[4-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1.
What is the InChIKey of N-[4-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is XVAOKCBTPOYZOY-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-15(23)20-17-7-9-18(10-8-17)27(25,26)22-13-5-6-16(14-22)19(24)21-11-3-2-4-12-21/h7-10,16H,2-6,11-14H2,1H3,(H,20,23)/t16-/m1/s1.
What are the key properties of N-[4-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 393.51 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 41009001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).