N-cyclopropyl-1-[1-(2-methylsulfanylacetyl)piperidin-4-yl]piperidine-3-carboxamide

C17H29N3O2S — CID 45212800

IUPACN-cyclopropyl-1-[1-(2-methylsulfanylacetyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCSCC(=O)N1CCC(N2CCCC(C(=O)NC3CC3)C2)CC1
InChIInChI=1S/C17H29N3O2S/c1-23-12-16(21)19-9-6-15(7-10-19)20-8-2-3-13(11-20)17(22)18-14-4-5-14/h13-15H,2-12H2,1H3,(H,18,22)
InChIKeyYOYKGKCBYJTUPT-UHFFFAOYSA-N
MW339.51 g/mol
LogP1.33
Rot. Bonds5

About N-cyclopropyl-1-[1-(2-methylsulfanylacetyl)piperidin-4-yl]piperidine-3-carboxamide

N-cyclopropyl-1-[1-(2-methylsulfanylacetyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 45212800) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-(2-methylsulfanylacetyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-(2-methylsulfanylacetyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID45212800
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC NameN-cyclopropyl-1-[1-(2-methylsulfanylacetyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCSCC(=O)N1CCC(N2CCCC(C(=O)NC3CC3)C2)CC1
InChIInChI=1S/C17H29N3O2S/c1-23-12-16(21)19-9-6-15(7-10-19)20-8-2-3-13(11-20)17(22)18-14-4-5-14/h13-15H,2-12H2,1H3,(H,18,22)
InChIKeyYOYKGKCBYJTUPT-UHFFFAOYSA-N
XLogP1.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-(2-methylsulfanylacetyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-(2-methylsulfanylacetyl)piperidin-4-yl]piperidine-3-carboxamide (CID 45212800) is N-cyclopropyl-1-[1-(2-methylsulfanylacetyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-(2-methylsulfanylacetyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-(2-methylsulfanylacetyl)piperidin-4-yl]piperidine-3-carboxamide is CSCC(=O)N1CCC(N2CCCC(C(=O)NC3CC3)C2)CC1.
What is the InChIKey of N-cyclopropyl-1-[1-(2-methylsulfanylacetyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is YOYKGKCBYJTUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-23-12-16(21)19-9-6-15(7-10-19)20-8-2-3-13(11-20)17(22)18-14-4-5-14/h13-15H,2-12H2,1H3,(H,18,22).
What are the key properties of N-cyclopropyl-1-[1-(2-methylsulfanylacetyl)piperidin-4-yl]piperidine-3-carboxamide?
N-cyclopropyl-1-[1-(2-methylsulfanylacetyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 339.51 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-(2-methylsulfanylacetyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 45212800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).