(3S)-1-N,1-N-diethyl-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-1,3-dicarboxamide

C19H31N3O2S — CID 51941096

IUPAC(3S)-1-N,1-N-diethyl-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC[C@H](C(=O)N[C@@H](c2cccs2)C(C)C)C1
InChIInChI=1S/C19H31N3O2S/c1-5-21(6-2)19(24)22-11-7-9-15(13-22)18(23)20-17(14(3)4)16-10-8-12-25-16/h8,10,12,14-15,17H,5-7,9,11,13H2,1-4H3,(H,20,23)/t15-,17+/m0/s1
InChIKeyNDAJCUANFOLLRZ-DOTOQJQBSA-N
MW365.54 g/mol
LogP3.74
Rot. Bonds6

About (3S)-1-N,1-N-diethyl-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-1,3-dicarboxamide

(3S)-1-N,1-N-diethyl-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-1,3-dicarboxamide (PubChem CID 51941096) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is (3S)-1-N,1-N-diethyl-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N,1-N-diethyl-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-1,3-dicarboxamide
PubChem CID51941096
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC Name(3S)-1-N,1-N-diethyl-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC[C@H](C(=O)N[C@@H](c2cccs2)C(C)C)C1
InChIInChI=1S/C19H31N3O2S/c1-5-21(6-2)19(24)22-11-7-9-15(13-22)18(23)20-17(14(3)4)16-10-8-12-25-16/h8,10,12,14-15,17H,5-7,9,11,13H2,1-4H3,(H,20,23)/t15-,17+/m0/s1
InChIKeyNDAJCUANFOLLRZ-DOTOQJQBSA-N
XLogP3.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 51943392
(3S)-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9143956
(3R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 100901271
(3R)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9143984
N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 115578693
N-(2-ethyl-1-thiophen-2-ylbutyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55904545
(3R)-1-N,1-N-diethyl-3-N-[(2R)-2-phenylpropyl]piperidine-1,3-dicarboxamide
CID 51941120
propan-2-yl 2,4-dimethyl-5-[(3S)-3-[[(1R)-2-methyl-1-thiophen-2-ylpropyl]carbamoyl]piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 97043643
1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea
CID 115575874
(3R)-1-(furan-2-carbonyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
CID 32613901
(3S)-1-N,1-N-diethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 51941062
(3R)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 81124404

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N,1-N-diethyl-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N,1-N-diethyl-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-1,3-dicarboxamide (CID 51941096) is (3S)-1-N,1-N-diethyl-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N,1-N-diethyl-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N,1-N-diethyl-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-1,3-dicarboxamide is CCN(CC)C(=O)N1CCC[C@H](C(=O)N[C@@H](c2cccs2)C(C)C)C1.
What is the InChIKey of (3S)-1-N,1-N-diethyl-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-1,3-dicarboxamide?
The InChIKey is NDAJCUANFOLLRZ-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-5-21(6-2)19(24)22-11-7-9-15(13-22)18(23)20-17(14(3)4)16-10-8-12-25-16/h8,10,12,14-15,17H,5-7,9,11,13H2,1-4H3,(H,20,23)/t15-,17+/m0/s1.
What are the key properties of (3S)-1-N,1-N-diethyl-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-1,3-dicarboxamide?
(3S)-1-N,1-N-diethyl-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-1,3-dicarboxamide has a molecular weight of 365.54 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N,1-N-diethyl-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 51941096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).