(2R,6S)-2-N,6-N-bis(2,4-dimethylthiophen-3-yl)-1-propylpiperidine-2,6-dicarboxamide

C22H31N3O2S2 — CID 141479943

IUPAC(2R,6S)-2-N,6-N-bis(2,4-dimethylthiophen-3-yl)-1-propylpiperidine-2,6-dicarboxamide
SMILESCCCN1[C@@H](C(=O)Nc2c(C)csc2C)CCC[C@H]1C(=O)Nc1c(C)csc1C
InChIInChI=1S/C22H31N3O2S2/c1-6-10-25-17(21(26)23-19-13(2)11-28-15(19)4)8-7-9-18(25)22(27)24-20-14(3)12-29-16(20)5/h11-12,17-18H,6-10H2,1-5H3,(H,23,26)(H,24,27)/t17-,18+
InChIKeyUTGBJYMZBKUJGN-HDICACEKSA-N
MW433.64 g/mol
LogP5.25
Rot. Bonds6

About (2R,6S)-2-N,6-N-bis(2,4-dimethylthiophen-3-yl)-1-propylpiperidine-2,6-dicarboxamide

(2R,6S)-2-N,6-N-bis(2,4-dimethylthiophen-3-yl)-1-propylpiperidine-2,6-dicarboxamide (PubChem CID 141479943) has the molecular formula C22H31N3O2S2 and a molecular weight of 433.64 g/mol. Its IUPAC name is (2R,6S)-2-N,6-N-bis(2,4-dimethylthiophen-3-yl)-1-propylpiperidine-2,6-dicarboxamide.

Molecular Properties

Compound Name(2R,6S)-2-N,6-N-bis(2,4-dimethylthiophen-3-yl)-1-propylpiperidine-2,6-dicarboxamide
PubChem CID141479943
Molecular FormulaC22H31N3O2S2
Molecular Weight433.64 g/mol
Exact Mass433.19
IUPAC Name(2R,6S)-2-N,6-N-bis(2,4-dimethylthiophen-3-yl)-1-propylpiperidine-2,6-dicarboxamide
SMILESCCCN1[C@@H](C(=O)Nc2c(C)csc2C)CCC[C@H]1C(=O)Nc1c(C)csc1C
InChIInChI=1S/C22H31N3O2S2/c1-6-10-25-17(21(26)23-19-13(2)11-28-15(19)4)8-7-9-18(25)22(27)24-20-14(3)12-29-16(20)5/h11-12,17-18H,6-10H2,1-5H3,(H,23,26)(H,24,27)/t17-,18+
InChIKeyUTGBJYMZBKUJGN-HDICACEKSA-N
XLogP5.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.64
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-N,6-N-bis(2,4-dimethylthiophen-3-yl)-1-propylpiperidine-2,6-dicarboxamide?
The IUPAC name of (2R,6S)-2-N,6-N-bis(2,4-dimethylthiophen-3-yl)-1-propylpiperidine-2,6-dicarboxamide (CID 141479943) is (2R,6S)-2-N,6-N-bis(2,4-dimethylthiophen-3-yl)-1-propylpiperidine-2,6-dicarboxamide.
What is the SMILES notation for (2R,6S)-2-N,6-N-bis(2,4-dimethylthiophen-3-yl)-1-propylpiperidine-2,6-dicarboxamide?
The canonical SMILES for (2R,6S)-2-N,6-N-bis(2,4-dimethylthiophen-3-yl)-1-propylpiperidine-2,6-dicarboxamide is CCCN1[C@@H](C(=O)Nc2c(C)csc2C)CCC[C@H]1C(=O)Nc1c(C)csc1C.
What is the InChIKey of (2R,6S)-2-N,6-N-bis(2,4-dimethylthiophen-3-yl)-1-propylpiperidine-2,6-dicarboxamide?
The InChIKey is UTGBJYMZBKUJGN-HDICACEKSA-N. The full InChI is InChI=1S/C22H31N3O2S2/c1-6-10-25-17(21(26)23-19-13(2)11-28-15(19)4)8-7-9-18(25)22(27)24-20-14(3)12-29-16(20)5/h11-12,17-18H,6-10H2,1-5H3,(H,23,26)(H,24,27)/t17-,18+.
What are the key properties of (2R,6S)-2-N,6-N-bis(2,4-dimethylthiophen-3-yl)-1-propylpiperidine-2,6-dicarboxamide?
(2R,6S)-2-N,6-N-bis(2,4-dimethylthiophen-3-yl)-1-propylpiperidine-2,6-dicarboxamide has a molecular weight of 433.64 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-N,6-N-bis(2,4-dimethylthiophen-3-yl)-1-propylpiperidine-2,6-dicarboxamide is sourced from PubChem (CID 141479943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).