4-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,4-dicarboxamide

C21H27N3O2S — CID 26462883

IUPAC4-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCC(C)[C@@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1cccs1
InChIInChI=1S/C21H27N3O2S/c1-15(2)19(18-9-6-14-27-18)23-20(25)16-10-12-24(13-11-16)21(26)22-17-7-4-3-5-8-17/h3-9,14-16,19H,10-13H2,1-2H3,(H,22,26)(H,23,25)/t19-/m1/s1
InChIKeyGYVBCQUILYXCQA-LJQANCHMSA-N
MW385.53 g/mol
LogP4.51
Rot. Bonds5

About 4-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,4-dicarboxamide

4-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 26462883) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is 4-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID26462883
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC Name4-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCC(C)[C@@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1cccs1
InChIInChI=1S/C21H27N3O2S/c1-15(2)19(18-9-6-14-27-18)23-20(25)16-10-12-24(13-11-16)21(26)22-17-7-4-3-5-8-17/h3-9,14-16,19H,10-13H2,1-2H3,(H,22,26)(H,23,25)/t19-/m1/s1
InChIKeyGYVBCQUILYXCQA-LJQANCHMSA-N
XLogP4.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,4-dicarboxamide with MolForge

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Related Compounds

(3S)-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9143956
4-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 42905460
1-(4-bromobenzoyl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-4-carboxamide
CID 25387932
4-N-[1-(furan-2-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 47008803
4-N-(6-methylheptan-2-yl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51158606
N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 115578693
N-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 17462186
4-N-[2-methyl-1-(2-methylphenyl)propyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 86939980
(3S)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 51943392
4-N-(1-naphthalen-1-ylethyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 42907490
(3S)-3-N-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 51646299
1-N-phenyl-4-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1,4-dicarboxamide
CID 78772201

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,4-dicarboxamide (CID 26462883) is 4-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,4-dicarboxamide is CC(C)[C@@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1cccs1.
What is the InChIKey of 4-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is GYVBCQUILYXCQA-LJQANCHMSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-15(2)19(18-9-6-14-27-18)23-20(25)16-10-12-24(13-11-16)21(26)22-17-7-4-3-5-8-17/h3-9,14-16,19H,10-13H2,1-2H3,(H,22,26)(H,23,25)/t19-/m1/s1.
What are the key properties of 4-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
4-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 385.53 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 26462883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).