4-[acetyl(methyl)amino]-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide

C17H27N3O2S — CID 71867985

IUPAC4-[acetyl(methyl)amino]-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide
SMILESCC(=O)N(C)C1CCN(C(=O)NCC(C)Cc2cccs2)CC1
InChIInChI=1S/C17H27N3O2S/c1-13(11-16-5-4-10-23-16)12-18-17(22)20-8-6-15(7-9-20)19(3)14(2)21/h4-5,10,13,15H,6-9,11-12H2,1-3H3,(H,18,22)
InChIKeySFFRSUAFHZLIPU-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.58
Rot. Bonds5

About 4-[acetyl(methyl)amino]-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide

4-[acetyl(methyl)amino]-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide (PubChem CID 71867985) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 4-[acetyl(methyl)amino]-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[acetyl(methyl)amino]-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide
PubChem CID71867985
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name4-[acetyl(methyl)amino]-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide
SMILESCC(=O)N(C)C1CCN(C(=O)NCC(C)Cc2cccs2)CC1
InChIInChI=1S/C17H27N3O2S/c1-13(11-16-5-4-10-23-16)12-18-17(22)20-8-6-15(7-9-20)19(3)14(2)21/h4-5,10,13,15H,6-9,11-12H2,1-3H3,(H,18,22)
InChIKeySFFRSUAFHZLIPU-UHFFFAOYSA-N
XLogP2.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N~1~,N~1~-dimethyl-N~4~-(thien-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 3239396
N~1~,N~1~-dimethyl-N~3~-(thien-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 3242124
N-[2-(4-ethylpiperazin-1-yl)-1-methyl-2-thien-2-ylethyl]-3-methylbutanamide
CID 3237871
2-methyl-N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]propanamide
CID 3243425
N-[1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl]-2-methylpropanamide
CID 4654599
N-[[(9Z)-9-(thiophen-2-ylmethylidene)-7-azatricyclo[4.3.1.03,7]decan-2-yl]methyl]acetamide
CID 44386807
4-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-1,4-dicarboxamide
CID 94156776
Cambridge id 7020648
CID 2924363
4-(4-acetylpiperazin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxobutanamide
CID 42886196
N-ethyl-3-methyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide
CID 46943863
1-(pyrrolidine-1-carbonyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]piperidine-3-carboxamide
CID 47030902
4-(pyrrolidin-1-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 47046097

Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(methyl)amino]-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide?
The IUPAC name of 4-[acetyl(methyl)amino]-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide (CID 71867985) is 4-[acetyl(methyl)amino]-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[acetyl(methyl)amino]-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[acetyl(methyl)amino]-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide is CC(=O)N(C)C1CCN(C(=O)NCC(C)Cc2cccs2)CC1.
What is the InChIKey of 4-[acetyl(methyl)amino]-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide?
The InChIKey is SFFRSUAFHZLIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-13(11-16-5-4-10-23-16)12-18-17(22)20-8-6-15(7-9-20)19(3)14(2)21/h4-5,10,13,15H,6-9,11-12H2,1-3H3,(H,18,22).
What are the key properties of 4-[acetyl(methyl)amino]-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide?
4-[acetyl(methyl)amino]-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide has a molecular weight of 337.49 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(methyl)amino]-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 71867985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).