(3R)-1-N-phenyl-3-N-(2-thiophen-2-ylethyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide

C24H27N3O2S2 — CID 41166850

IUPAC(3R)-1-N-phenyl-3-N-(2-thiophen-2-ylethyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide
SMILESO=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N(CCc2cccs2)Cc2cccs2)C1
InChIInChI=1S/C24H27N3O2S2/c28-23(26(18-22-11-6-16-31-22)14-12-21-10-5-15-30-21)19-7-4-13-27(17-19)24(29)25-20-8-2-1-3-9-20/h1-3,5-6,8-11,15-16,19H,4,7,12-14,17-18H2,(H,25,29)/t19-/m1/s1
InChIKeyJWIFOABTRZRMIB-LJQANCHMSA-N
MW453.63 g/mol
LogP5.32
Rot. Bonds7

About (3R)-1-N-phenyl-3-N-(2-thiophen-2-ylethyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide

(3R)-1-N-phenyl-3-N-(2-thiophen-2-ylethyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide (PubChem CID 41166850) has the molecular formula C24H27N3O2S2 and a molecular weight of 453.63 g/mol. Its IUPAC name is (3R)-1-N-phenyl-3-N-(2-thiophen-2-ylethyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-phenyl-3-N-(2-thiophen-2-ylethyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide
PubChem CID41166850
Molecular FormulaC24H27N3O2S2
Molecular Weight453.63 g/mol
Exact Mass453.15
IUPAC Name(3R)-1-N-phenyl-3-N-(2-thiophen-2-ylethyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide
SMILESO=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N(CCc2cccs2)Cc2cccs2)C1
InChIInChI=1S/C24H27N3O2S2/c28-23(26(18-22-11-6-16-31-22)14-12-21-10-5-15-30-21)19-7-4-13-27(17-19)24(29)25-20-8-2-1-3-9-20/h1-3,5-6,8-11,15-16,19H,4,7,12-14,17-18H2,(H,25,29)/t19-/m1/s1
InChIKeyJWIFOABTRZRMIB-LJQANCHMSA-N
XLogP5.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.63
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 7435297
methyl 3-[benzyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoate
CID 55513167
3-N-(3-aminopropyl)-3-N-benzyl-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
CID 120648055
3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-ethyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24655711
(3S)-3-N-[(5-chlorothiophen-2-yl)methyl]-1-N-phenyl-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
CID 9087397
(3S)-1-N-[4-[[(3S)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 40620948
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
1-N-[3-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3574463
3-N-[2-(diethylamino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 51328766
(3R)-3-N-methyl-3-N-(naphthalen-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 94406394
(3S)-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9143956
(3S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
CID 81117787

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-phenyl-3-N-(2-thiophen-2-ylethyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-phenyl-3-N-(2-thiophen-2-ylethyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide (CID 41166850) is (3R)-1-N-phenyl-3-N-(2-thiophen-2-ylethyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-phenyl-3-N-(2-thiophen-2-ylethyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-phenyl-3-N-(2-thiophen-2-ylethyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide is O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N(CCc2cccs2)Cc2cccs2)C1.
What is the InChIKey of (3R)-1-N-phenyl-3-N-(2-thiophen-2-ylethyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide?
The InChIKey is JWIFOABTRZRMIB-LJQANCHMSA-N. The full InChI is InChI=1S/C24H27N3O2S2/c28-23(26(18-22-11-6-16-31-22)14-12-21-10-5-15-30-21)19-7-4-13-27(17-19)24(29)25-20-8-2-1-3-9-20/h1-3,5-6,8-11,15-16,19H,4,7,12-14,17-18H2,(H,25,29)/t19-/m1/s1.
What are the key properties of (3R)-1-N-phenyl-3-N-(2-thiophen-2-ylethyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide?
(3R)-1-N-phenyl-3-N-(2-thiophen-2-ylethyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide has a molecular weight of 453.63 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-phenyl-3-N-(2-thiophen-2-ylethyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 41166850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).