[3-[4-(cyclopentanecarbonylamino)piperidine-1-carbonyl]phenyl] acetate

C20H26N2O4 — CID 108927512

IUPAC[3-[4-(cyclopentanecarbonylamino)piperidine-1-carbonyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)N2CCC(NC(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C20H26N2O4/c1-14(23)26-18-8-4-7-16(13-18)20(25)22-11-9-17(10-12-22)21-19(24)15-5-2-3-6-15/h4,7-8,13,15,17H,2-3,5-6,9-12H2,1H3,(H,21,24)
InChIKeyBUELLHZVQWWOAY-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.52
Rot. Bonds4

About [3-[4-(cyclopentanecarbonylamino)piperidine-1-carbonyl]phenyl] acetate

[3-[4-(cyclopentanecarbonylamino)piperidine-1-carbonyl]phenyl] acetate (PubChem CID 108927512) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is [3-[4-(cyclopentanecarbonylamino)piperidine-1-carbonyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[4-(cyclopentanecarbonylamino)piperidine-1-carbonyl]phenyl] acetate
PubChem CID108927512
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name[3-[4-(cyclopentanecarbonylamino)piperidine-1-carbonyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)N2CCC(NC(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C20H26N2O4/c1-14(23)26-18-8-4-7-16(13-18)20(25)22-11-9-17(10-12-22)21-19(24)15-5-2-3-6-15/h4,7-8,13,15,17H,2-3,5-6,9-12H2,1H3,(H,21,24)
InChIKeyBUELLHZVQWWOAY-UHFFFAOYSA-N
XLogP2.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3-[4-(2-methylprop-2-enoylamino)piperidine-1-carbonyl]phenyl] acetate
CID 108927552
[3-[4-[[(E)-3-cyclopropylbut-2-enoyl]amino]piperidine-1-carbonyl]phenyl] acetate
CID 108927580
N-[1-(3-methylbenzoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110820278
[3-[4-[[(E)-3-cyclohexylprop-2-enoyl]amino]piperidine-1-carbonyl]phenyl] acetate
CID 108927562
[3-[4-[(3-methylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
CID 108555308
[3-[4-[(4-phenylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
CID 108549433
[3-[4-(cyclohexanecarbonyl)-1,4-diazepane-1-carbonyl]phenyl] acetate
CID 108543486
N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
[3-[4-[(2-iodobenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
CID 108927398
[3-[4-[[(E)-3,4,4-trimethylpent-2-enoyl]amino]piperidine-1-carbonyl]phenyl] acetate
CID 108927578
[3-[4-[(4-propan-2-ylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
CID 108563357
[3-[4-(4-chlorobutanoylamino)piperidine-1-carbonyl]phenyl] acetate
CID 108563337

Frequently Asked Questions

What is the IUPAC name of [3-[4-(cyclopentanecarbonylamino)piperidine-1-carbonyl]phenyl] acetate?
The IUPAC name of [3-[4-(cyclopentanecarbonylamino)piperidine-1-carbonyl]phenyl] acetate (CID 108927512) is [3-[4-(cyclopentanecarbonylamino)piperidine-1-carbonyl]phenyl] acetate.
What is the SMILES notation for [3-[4-(cyclopentanecarbonylamino)piperidine-1-carbonyl]phenyl] acetate?
The canonical SMILES for [3-[4-(cyclopentanecarbonylamino)piperidine-1-carbonyl]phenyl] acetate is CC(=O)Oc1cccc(C(=O)N2CCC(NC(=O)C3CCCC3)CC2)c1.
What is the InChIKey of [3-[4-(cyclopentanecarbonylamino)piperidine-1-carbonyl]phenyl] acetate?
The InChIKey is BUELLHZVQWWOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-14(23)26-18-8-4-7-16(13-18)20(25)22-11-9-17(10-12-22)21-19(24)15-5-2-3-6-15/h4,7-8,13,15,17H,2-3,5-6,9-12H2,1H3,(H,21,24).
What are the key properties of [3-[4-(cyclopentanecarbonylamino)piperidine-1-carbonyl]phenyl] acetate?
[3-[4-(cyclopentanecarbonylamino)piperidine-1-carbonyl]phenyl] acetate has a molecular weight of 358.44 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(cyclopentanecarbonylamino)piperidine-1-carbonyl]phenyl] acetate is sourced from PubChem (CID 108927512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).