1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N,N-dimethylpiperidine-4-carboxamide

C22H23N3O2S — CID 78779541

IUPAC1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1
InChIInChI=1S/C22H23N3O2S/c1-24(2)21(26)16-11-13-25(14-12-16)22(27)18-8-4-6-10-20(18)28-19-9-5-3-7-17(19)15-23/h3-10,16H,11-14H2,1-2H3
InChIKeySIUIIAFCVPYVGX-UHFFFAOYSA-N
MW393.51 g/mol
LogP3.65
Rot. Bonds4

About 1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N,N-dimethylpiperidine-4-carboxamide

1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 78779541) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID78779541
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1
InChIInChI=1S/C22H23N3O2S/c1-24(2)21(26)16-11-13-25(14-12-16)22(27)18-8-4-6-10-20(18)28-19-9-5-3-7-17(19)15-23/h3-10,16H,11-14H2,1-2H3
InChIKeySIUIIAFCVPYVGX-UHFFFAOYSA-N
XLogP3.65
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-(2-cyanophenyl)sulfanylbenzoyl]piperidine-4-carboxylate
CID 78780461
2-[2-(4-ethylpiperazine-1-carbonyl)phenyl]sulfanylbenzonitrile
CID 78774161
2-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]sulfanylbenzonitrile
CID 1313475
2-[2-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile
CID 43007397
1-[2-(4-bromobenzoyl)benzoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 47020581
2-[2-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]phenyl]sulfanylbenzonitrile
CID 55918529
2-[4-[2-(2-cyanophenyl)sulfanylbenzoyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 60575536
[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(2-cyanophenyl)sulfanylbenzoate
CID 7414672
2-[4-[2-(2-cyanophenyl)sulfanylbenzoyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 33216942
1-(2-methylsulfanylbenzoyl)piperidine-4-carbonitrile
CID 28665910
1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 60573749
2-(2-cyanophenyl)sulfanyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 39474944

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N,N-dimethylpiperidine-4-carboxamide (CID 78779541) is 1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1.
What is the InChIKey of 1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is SIUIIAFCVPYVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-24(2)21(26)16-11-13-25(14-12-16)22(27)18-8-4-6-10-20(18)28-19-9-5-3-7-17(19)15-23/h3-10,16H,11-14H2,1-2H3.
What are the key properties of 1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N,N-dimethylpiperidine-4-carboxamide?
1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 78779541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).