1-[4-(1,3-dithiolan-2-yl)benzoyl]piperidine-2-carboxamide

C16H20N2O2S2 — CID 112758779

IUPAC1-[4-(1,3-dithiolan-2-yl)benzoyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)c1ccc(C2SCCS2)cc1
InChIInChI=1S/C16H20N2O2S2/c17-14(19)13-3-1-2-8-18(13)15(20)11-4-6-12(7-5-11)16-21-9-10-22-16/h4-7,13,16H,1-3,8-10H2,(H2,17,19)
InChIKeyRYDKXIUUDDCRTO-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.65
Rot. Bonds3

About 1-[4-(1,3-dithiolan-2-yl)benzoyl]piperidine-2-carboxamide

1-[4-(1,3-dithiolan-2-yl)benzoyl]piperidine-2-carboxamide (PubChem CID 112758779) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[4-(1,3-dithiolan-2-yl)benzoyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-(1,3-dithiolan-2-yl)benzoyl]piperidine-2-carboxamide
PubChem CID112758779
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC Name1-[4-(1,3-dithiolan-2-yl)benzoyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)c1ccc(C2SCCS2)cc1
InChIInChI=1S/C16H20N2O2S2/c17-14(19)13-3-1-2-8-18(13)15(20)11-4-6-12(7-5-11)16-21-9-10-22-16/h4-7,13,16H,1-3,8-10H2,(H2,17,19)
InChIKeyRYDKXIUUDDCRTO-UHFFFAOYSA-N
XLogP2.65
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1,3-dithian-2-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 86915871
1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 43212216
[4-(2-carbamoylpyrrolidine-1-carbonyl)phenyl]boronic acid
CID 66853498
[4-(1,3-dithian-2-yl)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 86979053
[4-(1,3-dithian-2-yl)phenyl]-(2-pyridin-4-ylazepan-1-yl)methanone
CID 86998562
(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
[4-(1,3-dithiolan-2-yl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650154
1-(4-acetamidobenzoyl)pyrrolidine-2-carboxamide
CID 110473581
(2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide
CID 46986685
N-[[1-[4-(1,3-dithian-2-yl)benzoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073333
1-(1H-indole-5-carbonyl)piperidine-2-carboxamide
CID 63719368
1-(3-hydroxy-4-methoxybenzoyl)piperidine-2-carboxamide
CID 79673840

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-dithiolan-2-yl)benzoyl]piperidine-2-carboxamide?
The IUPAC name of 1-[4-(1,3-dithiolan-2-yl)benzoyl]piperidine-2-carboxamide (CID 112758779) is 1-[4-(1,3-dithiolan-2-yl)benzoyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[4-(1,3-dithiolan-2-yl)benzoyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[4-(1,3-dithiolan-2-yl)benzoyl]piperidine-2-carboxamide is NC(=O)C1CCCCN1C(=O)c1ccc(C2SCCS2)cc1.
What is the InChIKey of 1-[4-(1,3-dithiolan-2-yl)benzoyl]piperidine-2-carboxamide?
The InChIKey is RYDKXIUUDDCRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c17-14(19)13-3-1-2-8-18(13)15(20)11-4-6-12(7-5-11)16-21-9-10-22-16/h4-7,13,16H,1-3,8-10H2,(H2,17,19).
What are the key properties of 1-[4-(1,3-dithiolan-2-yl)benzoyl]piperidine-2-carboxamide?
1-[4-(1,3-dithiolan-2-yl)benzoyl]piperidine-2-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-dithiolan-2-yl)benzoyl]piperidine-2-carboxamide is sourced from PubChem (CID 112758779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).