N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide

C15H26N4OS — CID 72940468

IUPACN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
SMILESCSc1ncc(CNC(=O)C2CCCN(C(C)C)C2)n1C
InChIInChI=1S/C15H26N4OS/c1-11(2)19-7-5-6-12(10-19)14(20)16-8-13-9-17-15(21-4)18(13)3/h9,11-12H,5-8,10H2,1-4H3,(H,16,20)
InChIKeyPFGHXQNUXJLZJW-UHFFFAOYSA-N
MW310.47 g/mol
LogP1.88
Rot. Bonds5

About N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide

N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide (PubChem CID 72940468) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
PubChem CID72940468
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC NameN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
SMILESCSc1ncc(CNC(=O)C2CCCN(C(C)C)C2)n1C
InChIInChI=1S/C15H26N4OS/c1-11(2)19-7-5-6-12(10-19)14(20)16-8-13-9-17-15(21-4)18(13)3/h9,11-12H,5-8,10H2,1-4H3,(H,16,20)
InChIKeyPFGHXQNUXJLZJW-UHFFFAOYSA-N
XLogP1.88
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-acetyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]piperidine-3-carboxamide
CID 97202862
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 97198797
(3R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 97272581
(3S)-1-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 97271190
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 131942207
(3S)-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 97282831
N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72919300
N-[(2,3-dimethylimidazol-4-yl)methyl]cyclopropanecarboxamide
CID 164659423
N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 59279121
N-[(1-ethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72875798
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
CID 133265554
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide (CID 72940468) is N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide is CSc1ncc(CNC(=O)C2CCCN(C(C)C)C2)n1C.
What is the InChIKey of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is PFGHXQNUXJLZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-11(2)19-7-5-6-12(10-19)14(20)16-8-13-9-17-15(21-4)18(13)3/h9,11-12H,5-8,10H2,1-4H3,(H,16,20).
What are the key properties of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide?
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 310.47 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 72940468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).