1-(2,2-dimethylpropanoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide

C21H28N2O2S2 — CID 55436253

IUPAC1-(2,2-dimethylpropanoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)N(Cc2cccs2)Cc2cccs2)CC1
InChIInChI=1S/C21H28N2O2S2/c1-21(2,3)20(25)22-10-8-16(9-11-22)19(24)23(14-17-6-4-12-26-17)15-18-7-5-13-27-18/h4-7,12-13,16H,8-11,14-15H2,1-3H3
InChIKeyKKDXLSYHVMQYRG-UHFFFAOYSA-N
MW404.60 g/mol
LogP4.62
Rot. Bonds5

About 1-(2,2-dimethylpropanoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-(2,2-dimethylpropanoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 55436253) has the molecular formula C21H28N2O2S2 and a molecular weight of 404.60 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID55436253
Molecular FormulaC21H28N2O2S2
Molecular Weight404.60 g/mol
Exact Mass404.16
IUPAC Name1-(2,2-dimethylpropanoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)N(Cc2cccs2)Cc2cccs2)CC1
InChIInChI=1S/C21H28N2O2S2/c1-21(2,3)20(25)22-10-8-16(9-11-22)19(24)23(14-17-6-4-12-26-17)15-18-7-5-13-27-18/h4-7,12-13,16H,8-11,14-15H2,1-3H3
InChIKeyKKDXLSYHVMQYRG-UHFFFAOYSA-N
XLogP4.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.60
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-1-[4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 78802784
1-(2,4-difluorobenzoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 31839249
N-[(2-methoxyphenyl)methyl]-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55757691
N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119271762
1-[methyl(thiophen-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
CID 43527825
1-(2,2-dimethylpropanoyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 33324992
N-(furan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 43009560
N-[(2-methoxyphenyl)methyl]-1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 24603453
1-(2,2-dimethylpropanoyl)-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 134028771
N-ethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 115578683
9-amino-N,N-bis(thiophen-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983874
N-cyclopropyl-1-(2,2-dimethylpropanoyl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55582556

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 55436253) is 1-(2,2-dimethylpropanoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide is CC(C)(C)C(=O)N1CCC(C(=O)N(Cc2cccs2)Cc2cccs2)CC1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is KKDXLSYHVMQYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S2/c1-21(2,3)20(25)22-10-8-16(9-11-22)19(24)23(14-17-6-4-12-26-17)15-18-7-5-13-27-18/h4-7,12-13,16H,8-11,14-15H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropanoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-(2,2-dimethylpropanoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 404.60 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 55436253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).