N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-3-piperidin-3-ylbutanamide

C19H26N4OS — CID 119759521

IUPACN-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccccc1Sc1nccn1C)C1CCCNC1
InChIInChI=1S/C19H26N4OS/c1-14(15-6-5-9-20-13-15)12-18(24)22-16-7-3-4-8-17(16)25-19-21-10-11-23(19)2/h3-4,7-8,10-11,14-15,20H,5-6,9,12-13H2,1-2H3,(H,22,24)
InChIKeyOYTUYIHRTUJTHI-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.54
Rot. Bonds6

About N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-3-piperidin-3-ylbutanamide

N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-3-piperidin-3-ylbutanamide (PubChem CID 119759521) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-3-piperidin-3-ylbutanamide
PubChem CID119759521
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC NameN-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccccc1Sc1nccn1C)C1CCCNC1
InChIInChI=1S/C19H26N4OS/c1-14(15-6-5-9-20-13-15)12-18(24)22-16-7-3-4-8-17(16)25-19-21-10-11-23(19)2/h3-4,7-8,10-11,14-15,20H,5-6,9,12-13H2,1-2H3,(H,22,24)
InChIKeyOYTUYIHRTUJTHI-UHFFFAOYSA-N
XLogP3.54
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81043884
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-piperidin-3-ylbutanamide
CID 119691926
N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-3-carboxamide
CID 119759537
N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81044263
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-piperidin-3-ylbutanamide
CID 119847742
N-[3-(1-methylimidazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide
CID 119856068
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
3-piperidin-3-yl-N-pyrimidin-2-ylbutanamide
CID 81043820
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119814476
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119704023
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-3-piperidin-3-ylbutanamide (CID 119759521) is N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)Nc1ccccc1Sc1nccn1C)C1CCCNC1.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-3-piperidin-3-ylbutanamide?
The InChIKey is OYTUYIHRTUJTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-14(15-6-5-9-20-13-15)12-18(24)22-16-7-3-4-8-17(16)25-19-21-10-11-23(19)2/h3-4,7-8,10-11,14-15,20H,5-6,9,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-3-piperidin-3-ylbutanamide?
N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-3-piperidin-3-ylbutanamide has a molecular weight of 358.51 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119759521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).