4-(N-methylanilino)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-carboxamide

C17H27N3OS — CID 71977269

IUPAC4-(N-methylanilino)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-carboxamide
SMILESCSCC(C)NC(=O)N1CCC(N(C)c2ccccc2)CC1
InChIInChI=1S/C17H27N3OS/c1-14(13-22-3)18-17(21)20-11-9-16(10-12-20)19(2)15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3,(H,18,21)
InChIKeyRCIDPCGEXLHJIQ-UHFFFAOYSA-N
MW321.49 g/mol
LogP3.05
Rot. Bonds5

About 4-(N-methylanilino)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-carboxamide

4-(N-methylanilino)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-carboxamide (PubChem CID 71977269) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is 4-(N-methylanilino)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(N-methylanilino)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-carboxamide
PubChem CID71977269
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC Name4-(N-methylanilino)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-carboxamide
SMILESCSCC(C)NC(=O)N1CCC(N(C)c2ccccc2)CC1
InChIInChI=1S/C17H27N3OS/c1-14(13-22-3)18-17(21)20-11-9-16(10-12-20)19(2)15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3,(H,18,21)
InChIKeyRCIDPCGEXLHJIQ-UHFFFAOYSA-N
XLogP3.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(N-methylanilino)-N-(1-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 71924374
3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxamide
CID 111444197
(3S)-1-(1-methylsulfanylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104863169
N-(1-methylsulfanylpropan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71868197
N-[(2S)-1-methylsulfanylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99714160
2-[1-(1-methylsulfanylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 113472935
2-amino-2-methyl-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119900172
1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
CID 51074335
ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate
CID 27534219
1-(4-acetylpiperazin-1-yl)-2-[4-(N-methylanilino)piperidin-1-yl]ethanone
CID 136579513
4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide
CID 3451208
N-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 136578286

Frequently Asked Questions

What is the IUPAC name of 4-(N-methylanilino)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(N-methylanilino)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-carboxamide (CID 71977269) is 4-(N-methylanilino)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(N-methylanilino)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(N-methylanilino)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-carboxamide is CSCC(C)NC(=O)N1CCC(N(C)c2ccccc2)CC1.
What is the InChIKey of 4-(N-methylanilino)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-carboxamide?
The InChIKey is RCIDPCGEXLHJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS/c1-14(13-22-3)18-17(21)20-11-9-16(10-12-20)19(2)15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3,(H,18,21).
What are the key properties of 4-(N-methylanilino)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-carboxamide?
4-(N-methylanilino)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-carboxamide has a molecular weight of 321.49 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-methylanilino)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 71977269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).