N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide

C16H26N4O3S — CID 110246266

IUPACN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide
SMILESCn1ccnc1C(NC(=O)CC1CCN(S(C)(=O)=O)CC1)C1CC1
InChIInChI=1S/C16H26N4O3S/c1-19-10-7-17-16(19)15(13-3-4-13)18-14(21)11-12-5-8-20(9-6-12)24(2,22)23/h7,10,12-13,15H,3-6,8-9,11H2,1-2H3,(H,18,21)
InChIKeyFWLJLGXHUAJERX-UHFFFAOYSA-N
MW354.48 g/mol
LogP1.05
Rot. Bonds6

About N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide

N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide (PubChem CID 110246266) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide
PubChem CID110246266
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC NameN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide
SMILESCn1ccnc1C(NC(=O)CC1CCN(S(C)(=O)=O)CC1)C1CC1
InChIInChI=1S/C16H26N4O3S/c1-19-10-7-17-16(19)15(13-3-4-13)18-14(21)11-12-5-8-20(9-6-12)24(2,22)23/h7,10,12-13,15H,3-6,8-9,11H2,1-2H3,(H,18,21)
InChIKeyFWLJLGXHUAJERX-UHFFFAOYSA-N
XLogP1.05
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide
CID 92634109
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 125444734
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide
CID 125437876
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-oxo-4-phenylbutanamide
CID 125176121
2-(4-chlorophenyl)sulfanyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide
CID 124754507
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 122566824
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide
CID 95220953
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide
CID 91779408
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide
CID 122565816
1-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(1-methyltriazol-4-yl)urea
CID 125162292
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 122572248
3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]propanamide
CID 118793072

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide?
The IUPAC name of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide (CID 110246266) is N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide is Cn1ccnc1C(NC(=O)CC1CCN(S(C)(=O)=O)CC1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide?
The InChIKey is FWLJLGXHUAJERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-19-10-7-17-16(19)15(13-3-4-13)18-14(21)11-12-5-8-20(9-6-12)24(2,22)23/h7,10,12-13,15H,3-6,8-9,11H2,1-2H3,(H,18,21).
What are the key properties of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide?
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide has a molecular weight of 354.48 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide is sourced from PubChem (CID 110246266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).