N-methyl-4-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide

C15H22N4O2S — CID 91921473

IUPACN-methyl-4-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)c3cscn3)C2)CC1
InChIInChI=1S/C15H22N4O2S/c1-16-15(21)18-5-2-11(3-6-18)12-4-7-19(8-12)14(20)13-9-22-10-17-13/h9-12H,2-8H2,1H3,(H,16,21)
InChIKeyKKAJPQHCKSTZAJ-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.66
Rot. Bonds2

About N-methyl-4-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide

N-methyl-4-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide (PubChem CID 91921473) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-methyl-4-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide
PubChem CID91921473
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN-methyl-4-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)c3cscn3)C2)CC1
InChIInChI=1S/C15H22N4O2S/c1-16-15(21)18-5-2-11(3-6-18)12-4-7-19(8-12)14(20)13-9-22-10-17-13/h9-12H,2-8H2,1H3,(H,16,21)
InChIKeyKKAJPQHCKSTZAJ-UHFFFAOYSA-N
XLogP1.66
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-methyl-4-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide (CID 91921473) is N-methyl-4-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-4-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-methyl-4-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide is CNC(=O)N1CCC(C2CCN(C(=O)c3cscn3)C2)CC1.
What is the InChIKey of N-methyl-4-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The InChIKey is KKAJPQHCKSTZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-16-15(21)18-5-2-11(3-6-18)12-4-7-19(8-12)14(20)13-9-22-10-17-13/h9-12H,2-8H2,1H3,(H,16,21).
What are the key properties of N-methyl-4-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
N-methyl-4-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91921473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).