N-[(2R)-1-[4-[[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide

C23H31N5O3 — CID 92760760

IUPACN-[(2R)-1-[4-[[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@H](C)C(=O)N1CCN(Cc2cccc(-c3noc(C4CCCC4)n3)c2)CC1
InChIInChI=1S/C23H31N5O3/c1-16(24-17(2)29)23(30)28-12-10-27(11-13-28)15-18-6-5-9-20(14-18)21-25-22(31-26-21)19-7-3-4-8-19/h5-6,9,14,16,19H,3-4,7-8,10-13,15H2,1-2H3,(H,24,29)/t16-/m1/s1
InChIKeyQJUILEAQWOQUEC-MRXNPFEDSA-N
MW425.53 g/mol
LogP2.56
Rot. Bonds6

About N-[(2R)-1-[4-[[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide

N-[(2R)-1-[4-[[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide (PubChem CID 92760760) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[(2R)-1-[4-[[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-[[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide
PubChem CID92760760
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC NameN-[(2R)-1-[4-[[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@H](C)C(=O)N1CCN(Cc2cccc(-c3noc(C4CCCC4)n3)c2)CC1
InChIInChI=1S/C23H31N5O3/c1-16(24-17(2)29)23(30)28-12-10-27(11-13-28)15-18-6-5-9-20(14-18)21-25-22(31-26-21)19-7-3-4-8-19/h5-6,9,14,16,19H,3-4,7-8,10-13,15H2,1-2H3,(H,24,29)/t16-/m1/s1
InChIKeyQJUILEAQWOQUEC-MRXNPFEDSA-N
XLogP2.56
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[4-[[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 46099786
N-[(2S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide
CID 92771591
(3S)-1-[4-[[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-3-methylpentan-1-one
CID 92760069
1-butan-2-yl-3-[3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50777719
N-[3-(2-fluorophenyl)-1-oxo-1-[4-[[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]propan-2-yl]acetamide
CID 46099926
N-[(2S)-3-(2-fluorophenyl)-1-oxo-1-[4-[[3-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperazin-1-yl]propan-2-yl]acetamide
CID 98213562
(3R)-N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 95283267
3-[3-(piperidin-1-ylmethyl)phenyl]-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120839306
1-[(3R)-3-[3-[3-(methylsulfanylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 100690604
N-[2-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 70313533
N-[1-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 134477579
5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-2-methylbenzenesulfonamide
CID 50823583

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-[[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-[4-[[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide (CID 92760760) is N-[(2R)-1-[4-[[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-[4-[[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-[4-[[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide is CC(=O)N[C@H](C)C(=O)N1CCN(Cc2cccc(-c3noc(C4CCCC4)n3)c2)CC1.
What is the InChIKey of N-[(2R)-1-[4-[[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide?
The InChIKey is QJUILEAQWOQUEC-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-16(24-17(2)29)23(30)28-12-10-27(11-13-28)15-18-6-5-9-20(14-18)21-25-22(31-26-21)19-7-3-4-8-19/h5-6,9,14,16,19H,3-4,7-8,10-13,15H2,1-2H3,(H,24,29)/t16-/m1/s1.
What are the key properties of N-[(2R)-1-[4-[[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide?
N-[(2R)-1-[4-[[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide has a molecular weight of 425.53 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-[[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 92760760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).