N-[(1S)-1-cyclopentyl-2-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-oxoethyl]acetamide

C17H26N4O2 — CID 95313828

IUPACN-[(1S)-1-cyclopentyl-2-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)N[C@H](C(=O)N1CCC[C@H](n2ccnc2)C1)C1CCCC1
InChIInChI=1S/C17H26N4O2/c1-13(22)19-16(14-5-2-3-6-14)17(23)20-9-4-7-15(11-20)21-10-8-18-12-21/h8,10,12,14-16H,2-7,9,11H2,1H3,(H,19,22)/t15-,16-/m0/s1
InChIKeyPVMDEYYTSIZLGX-HOTGVXAUSA-N
MW318.42 g/mol
LogP1.74
Rot. Bonds4

About N-[(1S)-1-cyclopentyl-2-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-oxoethyl]acetamide

N-[(1S)-1-cyclopentyl-2-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 95313828) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentyl-2-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentyl-2-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-oxoethyl]acetamide
PubChem CID95313828
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-[(1S)-1-cyclopentyl-2-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)N[C@H](C(=O)N1CCC[C@H](n2ccnc2)C1)C1CCCC1
InChIInChI=1S/C17H26N4O2/c1-13(22)19-16(14-5-2-3-6-14)17(23)20-9-4-7-15(11-20)21-10-8-18-12-21/h8,10,12,14-16H,2-7,9,11H2,1H3,(H,19,22)/t15-,16-/m0/s1
InChIKeyPVMDEYYTSIZLGX-HOTGVXAUSA-N
XLogP1.74
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-cyclopentyl-2-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-oxoethyl]acetamide with MolForge

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Related Compounds

N-[(1R)-1-cyclopentyl-2-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 95327472
N-[(1S)-1-cyclopentyl-2-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 95736974
N-[(1R)-1-cyclopentyl-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 95978600
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-cyclopentyl-2-oxoethyl]acetamide;hydrochloride
CID 119409783
N-[1-(4-chlorophenyl)ethyl]-3-imidazol-1-ylpiperidine-1-carboxamide
CID 166192757
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-propan-2-ylsulfonylethanone
CID 95345962
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 95341948
(3R)-1-[(2R)-2-acetamido-2-cyclopentylacetyl]-N-cyclohexylpiperidine-3-carboxamide
CID 95231715
N-[(1R)-1-cyclopentyl-2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]acetamide
CID 95133490
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(2S)-1-methylsulfonylpiperidin-2-yl]methanone
CID 100856759
(2S)-2-[ethyl(methyl)amino]-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-phenylethanone
CID 95315157
1-cyclopentylimidazole;ethane;methanol
CID 144877752

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentyl-2-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[(1S)-1-cyclopentyl-2-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-oxoethyl]acetamide (CID 95313828) is N-[(1S)-1-cyclopentyl-2-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-cyclopentyl-2-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[(1S)-1-cyclopentyl-2-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-oxoethyl]acetamide is CC(=O)N[C@H](C(=O)N1CCC[C@H](n2ccnc2)C1)C1CCCC1.
What is the InChIKey of N-[(1S)-1-cyclopentyl-2-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is PVMDEYYTSIZLGX-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13(22)19-16(14-5-2-3-6-14)17(23)20-9-4-7-15(11-20)21-10-8-18-12-21/h8,10,12,14-16H,2-7,9,11H2,1H3,(H,19,22)/t15-,16-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopentyl-2-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-oxoethyl]acetamide?
N-[(1S)-1-cyclopentyl-2-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopentyl-2-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 95313828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).