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

C18H21N3O2S — CID 7435297

IUPAC(3R)-1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide
SMILESO=C(NCc1cccs1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C18H21N3O2S/c22-17(19-12-16-9-5-11-24-16)14-6-4-10-21(13-14)18(23)20-15-7-2-1-3-8-15/h1-3,5,7-9,11,14H,4,6,10,12-13H2,(H,19,22)(H,20,23)/t14-/m1/s1
InChIKeyLBHGWEFJDGUUAS-CQSZACIVSA-N
MW343.45 g/mol
LogP3.31
Rot. Bonds4

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

(3R)-1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide (PubChem CID 7435297) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is (3R)-1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide
PubChem CID7435297
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name(3R)-1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide
SMILESO=C(NCc1cccs1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C18H21N3O2S/c22-17(19-12-16-9-5-11-24-16)14-6-4-10-21(13-14)18(23)20-15-7-2-1-3-8-15/h1-3,5,7-9,11,14H,4,6,10,12-13H2,(H,19,22)(H,20,23)/t14-/m1/s1
InChIKeyLBHGWEFJDGUUAS-CQSZACIVSA-N
XLogP3.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-N-(furan-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435298
3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55991364
3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119620174
(3R)-1-N-phenyl-3-N-(2-thiophen-2-ylethyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 41166850
(3R)-1-(3,5-dimethylbenzoyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 94082845
(3R)-3-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9069548
1-[2-(4-fluorophenyl)acetyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 55739487
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686692
(3S)-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9143956
(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9083501
3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50846126
1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide
CID 24614563

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide (CID 7435297) is (3R)-1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide is O=C(NCc1cccs1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of (3R)-1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide?
The InChIKey is LBHGWEFJDGUUAS-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-17(19-12-16-9-5-11-24-16)14-6-4-10-21(13-14)18(23)20-15-7-2-1-3-8-15/h1-3,5,7-9,11,14H,4,6,10,12-13H2,(H,19,22)(H,20,23)/t14-/m1/s1.
What are the key properties of (3R)-1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide?
(3R)-1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 7435297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).