N-methyl-4-[1-(2-methylsulfanylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide

C14H25N3O2S — CID 91921357

IUPACN-methyl-4-[1-(2-methylsulfanylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)CSC)C2)CC1
InChIInChI=1S/C14H25N3O2S/c1-15-14(19)16-6-3-11(4-7-16)12-5-8-17(9-12)13(18)10-20-2/h11-12H,3-10H2,1-2H3,(H,15,19)
InChIKeyWEYHRFHUNNUOGE-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.25
Rot. Bonds3

About N-methyl-4-[1-(2-methylsulfanylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide

N-methyl-4-[1-(2-methylsulfanylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide (PubChem CID 91921357) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-methyl-4-[1-(2-methylsulfanylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[1-(2-methylsulfanylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide
PubChem CID91921357
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-methyl-4-[1-(2-methylsulfanylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)CSC)C2)CC1
InChIInChI=1S/C14H25N3O2S/c1-15-14(19)16-6-3-11(4-7-16)12-5-8-17(9-12)13(18)10-20-2/h11-12H,3-10H2,1-2H3,(H,15,19)
InChIKeyWEYHRFHUNNUOGE-UHFFFAOYSA-N
XLogP1.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
CID 91916509
4-[1-(2-cyclohexylacetyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
CID 91910219
4-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
CID 91921344
4-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
CID 91910191
4-[1-[3-(3-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
CID 91921363
4-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
CID 91921338
N-methyl-4-[1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]piperidine-1-carboxamide
CID 91921382
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfanylethanone
CID 114680336
N-methyl-4-[1-(thian-4-yl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 91921395
1-(3-methylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42910082
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-(methylamino)butan-1-one
CID 54924244
1-(aziridin-1-yl)-2-methylsulfanylethanone
CID 130677613

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(2-methylsulfanylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-methyl-4-[1-(2-methylsulfanylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide (CID 91921357) is N-methyl-4-[1-(2-methylsulfanylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-4-[1-(2-methylsulfanylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-methyl-4-[1-(2-methylsulfanylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide is CNC(=O)N1CCC(C2CCN(C(=O)CSC)C2)CC1.
What is the InChIKey of N-methyl-4-[1-(2-methylsulfanylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The InChIKey is WEYHRFHUNNUOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-15-14(19)16-6-3-11(4-7-16)12-5-8-17(9-12)13(18)10-20-2/h11-12H,3-10H2,1-2H3,(H,15,19).
What are the key properties of N-methyl-4-[1-(2-methylsulfanylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
N-methyl-4-[1-(2-methylsulfanylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide has a molecular weight of 299.44 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(2-methylsulfanylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91921357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).